UCSF

ZINC37051417

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 0.90 3.51 -7.97 1 3 0 30 233.237 3
Mid Mid (pH 6-8) 0.90 4.89 -44.76 2 3 1 34 234.245 3

Activity (Go SEA)

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