UCSF

ZINC35647712

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 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) 3.70 8.26 -35.13 2 3 1 35 286.395 7
Mid Mid (pH 6-8) 3.70 7.04 -5.56 1 3 0 30 285.387 7

Activity (Go SEA)

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