UCSF

ZINC06025608

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2006 24 No

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) 0.51 2.88 -67.03 1 6 -1 94 323.328 5
Mid Mid (pH 6-8) 0.95 -3.44 -22.42 2 6 0 90 324.336 4
Lo Low (pH 4.5-6) 0.95 -2.95 -49.12 3 6 1 91 325.344 4

Activity (Go SEA)

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