UCSF

ZINC58837325

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2011 14 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) -0.52 5.44 -65.38 1 5 0 65 202.254 6
Lo Low (pH 4.5-6) -0.52 3.45 -39.37 2 5 1 62 203.262 6

Activity (Go SEA)

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