UCSF

ZINC40180592

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 24 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) 2.64 7.95 -9.61 1 5 0 60 322.412 5
Mid Mid (pH 6-8) 2.64 8.71 -31.04 2 5 1 61 323.42 5

Activity (Go SEA)

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