UCSF

ZINC29236233

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 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) 1.24 3.43 -12.51 2 6 0 74 288.351 5
Mid Mid (pH 6-8) 1.24 3.64 -39.6 3 6 1 76 289.359 5

Activity (Go SEA)

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