UCSF

ZINC22733607

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 32 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) 3.50 9.07 -45.32 2 6 1 49 437.608 7
Mid Mid (pH 6-8) 3.50 6.6 -11.08 1 6 0 48 436.6 7
Mid Mid (pH 6-8) 3.50 8.56 -44.88 2 6 1 49 437.608 7

Activity (Go SEA)

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