UCSF

ZINC44138221

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 13 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) 1.72 4.82 -43.63 2 2 1 34 182.218 3
Mid Mid (pH 6-8) 1.72 3.57 -8.72 1 2 0 29 181.21 3

Activity (Go SEA)

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