UCSF

ZINC03935382

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2005 34 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) 0.19 -3.9 -60.89 4 12 -1 194 499.51 7
Lo Low (pH 4.5-6) 0.19 -3.48 -69.51 5 12 0 195 500.518 7

Activity (Go SEA)

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