UCSF

ZINC09311179

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2007 31 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) 7.84 13.47 -10.16 1 4 0 54 448.975 6
Mid Mid (pH 6-8) 7.35 13.04 -48.13 0 4 -1 53 447.967 7
Lo Low (pH 4.5-6) 7.35 13.44 -18.02 1 4 0 51 448.975 7

Activity (Go SEA)

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