UCSF

ZINC22240596

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2008 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) 3.59 10.01 -10.65 0 4 0 30 321.424 3
Mid Mid (pH 6-8) 3.59 10.43 -27.96 1 4 1 31 322.432 3
Lo Low (pH 4.5-6) 3.59 11.87 -93.4 2 4 2 32 323.44 3

Activity (Go SEA)

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