UCSF

ZINC26570201

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 24 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) 0.41 9.52 -67.76 0 5 -1 75 323.303 3
Mid Mid (pH 6-8) 0.41 8.63 -31.24 1 5 0 78 324.311 3
Lo Low (pH 4.5-6) 0.41 9.07 -76.17 2 5 1 79 325.319 3

Activity (Go SEA)

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