UCSF

ZINC44132577

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 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) 2.71 3.2 -1.81 1 3 0 33 229.364 6
Mid Mid (pH 6-8) 2.71 4.95 -34.23 2 3 1 34 230.372 6

Activity (Go SEA)

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