UCSF

ZINC09322666

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 23 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) 1.65 5.22 -14 1 5 0 64 307.353 4
Lo Low (pH 4.5-6) 1.65 -1.77 -51.02 2 5 1 65 308.361 4
Lo Low (pH 4.5-6) 1.71 3.69 -25.18 2 5 0 69 308.361 4

Activity (Go SEA)

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