UCSF

ZINC36159311

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) 1.18 1.03 -42.7 4 3 1 57 216.688 3
Hi High (pH 8-9.5) 1.18 0.69 -4.1 3 3 0 55 215.68 3

Activity (Go SEA)

Rings

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