UCSF

ZINC34019106

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2009 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) 4.04 8.03 -46.63 3 1 1 28 299.246 4
Hi High (pH 8-9.5) 4.04 7.66 -3.19 2 1 0 26 298.238 4

Activity (Go SEA)

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