UCSF

ZINC59129310

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2011 14 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) 1.38 4.13 -5.42 2 3 0 52 193.246 4
Mid Mid (pH 6-8) 1.38 4.52 -46.03 3 3 1 54 194.254 4

Activity (Go SEA)

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