UCSF

ZINC23786807

Substance Information

In ZINC since Heavy atoms Benign functionality
January 7th, 2009 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) 2.25 6.49 -11.62 0 5 0 42 330.428 3
Mid Mid (pH 6-8) 2.25 8.71 -51.91 1 5 1 43 331.436 3

Activity (Go SEA)

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