UCSF

ZINC70514299

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 20 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) 1.60 6.86 -177.24 5 4 3 46 286.484 8
Mid Mid (pH 6-8) 1.60 4.87 -76.24 4 4 2 45 285.476 8
Mid Mid (pH 6-8) 1.60 7.35 -87.04 4 4 2 41 285.476 8

Activity (Go SEA)

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