UCSF

ZINC21640087

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 27 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) 2.76 8.56 -38.74 1 6 1 46 368.505 5
Mid Mid (pH 6-8) 2.76 6.2 -8.21 0 6 0 45 367.497 5
Lo Low (pH 4.5-6) 2.76 10.96 -91.68 2 6 2 47 369.513 5

Activity (Go SEA)

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