UCSF

ZINC40436075

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 15 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) 1.81 5.43 -31.29 2 3 1 29 228.385 6
Hi High (pH 8-9.5) 1.81 3.4 -3.12 1 3 0 28 227.377 6
Mid Mid (pH 6-8) 1.81 3.73 -35.94 2 3 1 33 228.385 6
Mid Mid (pH 6-8) 1.81 5.71 -109.17 3 3 2 34 229.393 6

Activity (Go SEA)

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