UCSF

ZINC01132171

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 39 No

Popular Name: (4S,7S)-4-(3-chloro-5-ethoxy-4-hydroxy-phenyl)-7-(4-fluorophenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro (4S,7S)-4-(3-chloro-5-ethoxy-4-h…

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) 6.12 12.55 -20.49 2 7 0 94 556.03 8 ↓
Hi High (pH 8-9.5) 6.12 13.47 -66.4 1 7 -1 97 555.022 8 ↓

Activity (Go SEA)

Rings

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

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