UCSF

ZINC37871591

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 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) 0.50 2.64 -46.22 3 3 1 50 195.286 6
Hi High (pH 8-9.5) 0.50 1.23 -4.95 2 3 0 45 194.278 6

Activity (Go SEA)

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