UCSF

ZINC41392254

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 13 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.65 1.82 -31.71 2 3 1 28 187.307 5
Mid Mid (pH 6-8) 0.65 1.67 -32.85 2 3 1 28 187.307 5
Lo Low (pH 4.5-6) 0.65 4.04 -102.02 3 3 2 29 188.315 5

Activity (Go SEA)

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