UCSF

ZINC23283355

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 22 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) 4.19 10.98 -33.68 1 2 1 8 301.498 4
Lo Low (pH 4.5-6) 4.19 13.27 -109.39 2 2 2 9 302.506 4

Activity (Go SEA)

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