UCSF

ZINC05446362

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2006 23 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) 4.23 9.25 -16.41 2 4 0 57 304.397 4
Mid Mid (pH 6-8) 4.23 9.66 -36.79 3 4 1 59 305.405 4
Lo Low (pH 4.5-6) 4.23 10.03 -87.16 4 4 2 60 306.413 4

Activity (Go SEA)

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