UCSF

ZINC40040553

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 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) 2.99 8.22 -12.68 1 6 0 74 335.4 7
Lo Low (pH 4.5-6) 3.06 6.39 -31.74 2 6 1 79 336.408 7

Activity (Go SEA)

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