UCSF

ZINC23642350

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2009 18 No

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) 1.59 6.43 -12.19 1 6 0 84 244.254 4
Lo Low (pH 4.5-6) 1.59 6.93 -34.37 2 6 1 85 245.262 4

Activity (Go SEA)

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