UCSF

ZINC49348856

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 18 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) -0.47 2.74 -46.22 3 6 1 81 252.294 3
Hi High (pH 8-9.5) -0.47 1.15 -13.68 2 6 0 80 251.286 3

Activity (Go SEA)

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