UCSF

ZINC45685248

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 20 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) 1.25 5.63 -44.52 3 3 1 40 277.432 3
Hi High (pH 8-9.5) 1.25 4.96 -3.08 2 3 0 38 276.424 3
Lo Low (pH 4.5-6) 1.25 7.04 -118.96 4 3 2 41 278.44 3

Activity (Go SEA)

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