UCSF

ZINC19817425

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 33 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) 4.94 15.07 -14.57 1 6 0 67 456.468 5
Lo Low (pH 4.5-6) 4.94 15.51 -40.08 2 6 1 68 457.476 5

Activity (Go SEA)

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