UCSF

ZINC52687077

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2010 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) 3.29 7.89 -10.24 0 3 0 36 284.334 6
Mid Mid (pH 6-8) 3.29 10.22 -50.3 1 3 1 37 285.342 6

Activity (Go SEA)

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