UCSF

ZINC24562183

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2009 27 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) 2.70 9.8 -52.15 2 8 1 89 398.505 8
Mid Mid (pH 6-8) 2.70 7.53 -10.8 1 8 0 88 397.497 8

Activity (Go SEA)

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