UCSF

ZINC34590425

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 32 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) 5.15 15.26 -50.21 1 5 1 43 429.54 7
Mid Mid (pH 6-8) 5.15 13.05 -11.33 0 5 0 42 428.532 7

Activity (Go SEA)

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