UCSF

ZINC44132000

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 21 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) 1.74 1.29 -6.81 1 5 0 51 295.379 5
Mid Mid (pH 6-8) 1.74 3.45 -36.19 2 5 1 52 296.387 5

Activity (Go SEA)

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