UCSF

ZINC44264191

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 12 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) -1.50 1.28 -58.77 4 4 1 69 163.204 1
Hi High (pH 8-9.5) -1.50 0.99 -8.23 3 4 0 68 162.196 1
Mid Mid (pH 6-8) -1.50 0.63 -40.15 3 4 0 68 162.196 1

Activity (Go SEA)

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