UCSF

ZINC49421435

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 29 Yes

Popular Name: 1-[(10S)-10-(5-chloro-2-hydroxy-phenyl)-8-(4-fluorophenyl)-3,7,11-triazaspiro[5.5]undec-7-en-3-yl]et 1-[(10S)-10-(5-chloro-2-hydroxy-…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.04 7.3 -53.28 3 5 1 70 416.904 2 ↓
Hi High (pH 8-9.5) 3.04 8.05 -42.82 2 5 0 72 415.896 2 ↓
Mid Mid (pH 6-8) 3.04 6.13 -12.71 2 5 0 65 415.896 2 ↓

Activity (Go SEA)

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.