UCSF

ZINC48231905

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2010 29 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) 0.96 4.03 -20.52 0 7 0 66 414.428 5
Mid Mid (pH 6-8) 0.96 6.39 -59.21 1 7 1 67 415.436 5

Activity (Go SEA)

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