UCSF

ZINC37862764

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 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) 1.76 3.48 -40.71 3 3 1 50 198.286 7
Hi High (pH 8-9.5) 1.76 2.11 -3.56 2 3 0 45 197.278 7

Activity (Go SEA)

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