UCSF

ZINC02624499

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2004 22 No

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) 2.52 7.89 -31.07 1 8 0 110 340.386 7
Mid Mid (pH 6-8) 2.71 5.53 -55.32 0 8 -1 116 339.378 7

Activity (Go SEA)

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