UCSF

ZINC13536894

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 23 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) 4.33 10.24 -7.84 0 2 0 20 303.405 3
Lo Low (pH 4.5-6) 4.33 12.47 -42.78 1 2 1 22 304.413 3

Activity (Go SEA)

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