UCSF

ZINC44704642

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 25 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) 0.77 6.73 -10.83 0 6 0 57 347.459 3
Mid Mid (pH 6-8) 0.77 8.85 -45.38 1 6 1 58 348.467 3

Activity (Go SEA)

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