UCSF

ZINC44812026

Substance Information

In ZINC since Heavy atoms Benign functionality
July 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) 1.96 3.91 -6.52 0 4 0 47 223.32 3
Mid Mid (pH 6-8) 1.96 6.12 -43.01 1 4 1 49 224.328 3

Activity (Go SEA)

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