UCSF

ZINC59854303

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 16 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) 1.93 7.84 -89.43 2 3 2 22 235.356 1
Hi High (pH 8-9.5) 1.93 5.01 -5.43 0 3 0 19 233.34 1
Mid Mid (pH 6-8) 1.93 5.48 -27.8 1 3 1 21 234.348 1
Mid Mid (pH 6-8) 1.93 7.36 -37.64 1 3 1 21 234.348 1

Activity (Go SEA)

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