UCSF

ZINC06578195

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2006 34 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) 3.53 11.97 -70.56 1 6 1 62 495.024 3
Mid Mid (pH 6-8) 3.53 9.63 -28.87 0 6 0 61 494.016 3

Activity (Go SEA)

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