UCSF

ZINC40162825

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2010 23 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) 1.03 5.5 -7.26 2 4 0 56 322.286 4
Ref Reference (pH 7) 1.03 5.5 -8.65 2 4 0 56 322.286 4
Mid Mid (pH 6-8) 1.03 5.81 -44.98 3 4 1 57 323.294 4
Mid Mid (pH 6-8) 1.03 5.81 -46.45 3 4 1 57 323.294 4

Activity (Go SEA)

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