UCSF

ZINC45650773

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 3.52 8.06 -32.16 2 2 1 16 247.406 5
Hi High (pH 8-9.5) 3.52 5.71 -1.84 1 2 0 15 246.398 5
Lo Low (pH 4.5-6) 3.52 6.91 -40.96 2 2 1 20 247.406 5

Activity (Go SEA)

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