UCSF

ZINC36722514

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 18 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) 0.19 0.91 -6.73 3 3 0 59 276.283 3
Mid Mid (pH 6-8) 0.19 1.2 -51.43 4 3 1 61 277.291 3

Activity (Go SEA)

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