UCSF

ZINC40951129

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 21 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) 1.65 6.62 -31.28 2 5 1 52 299.435 9
Hi High (pH 8-9.5) 1.65 5.78 -47.19 2 5 1 55 299.435 9
Mid Mid (pH 6-8) 1.65 7.96 -99.79 3 5 2 57 300.443 9

Activity (Go SEA)

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