UCSF

ZINC36862921

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 16 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) 1.99 2.69 -9.35 4 4 0 71 221.304 3
Mid Mid (pH 6-8) 1.54 0.84 -50.24 4 4 1 69 222.312 3

Activity (Go SEA)

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