UCSF

ZINC34964282

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 11 No

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) 1.17 1.31 -7.32 1 3 0 42 172.253 3
Mid Mid (pH 6-8) 1.90 0.66 -40 0 3 -1 39 171.245 3

Activity (Go SEA)

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