UCSF

ZINC00701188

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 33 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) 5.16 11.08 -13.44 1 4 0 45 475.58 10
Mid Mid (pH 6-8) 5.16 13.18 -57.82 2 4 1 46 476.588 10

Activity (Go SEA)

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