UCSF

ZINC23294589

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2008 24 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) 4.12 9.27 -19.1 1 4 0 55 363.414 5
Mid Mid (pH 6-8) 4.18 8.38 -39.89 0 4 -1 61 362.406 5

Activity (Go SEA)

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