UCSF

ZINC61818432

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 18 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) 1.52 6.12 -26.33 3 3 1 43 248.394 3
Mid Mid (pH 6-8) 1.52 4.59 -35.3 3 3 1 44 248.394 3
Lo Low (pH 4.5-6) 1.52 5.06 -99.75 4 3 2 45 249.402 3

Activity (Go SEA)

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