UCSF

ZINC41042534

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 13 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) -0.11 1.11 -107.7 5 3 2 52 188.315 4
Hi High (pH 8-9.5) -0.11 0.72 -32.37 4 3 1 51 187.307 4
Mid Mid (pH 6-8) -0.11 -0.75 -42.88 4 3 1 51 187.307 4

Activity (Go SEA)

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