UCSF

ZINC13425532

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 21 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) 2.02 3.46 -12.47 1 5 0 51 292.379 5
Mid Mid (pH 6-8) 2.02 5.72 -46.58 2 5 1 52 293.387 5
Lo Low (pH 4.5-6) 2.21 3.59 -41.31 2 5 1 55 293.387 5

Activity (Go SEA)

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