UCSF

ZINC34824692

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 18 Yes

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) 2.24 7.89 -44.65 2 3 1 33 242.346 4
Hi High (pH 8-9.5) 2.24 7.21 -6.32 1 3 0 28 241.338 4
Mid Mid (pH 6-8) 2.24 8.32 -92.13 3 3 2 34 243.354 4

Activity (Go SEA)

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