UCSF

ZINC22938164

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 22 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) 2.44 5.78 -42.12 3 5 1 49 305.446 5
Hi High (pH 8-9.5) 2.44 3.41 -9.72 2 5 0 48 304.438 5
Mid Mid (pH 6-8) 2.44 5.68 -44.55 3 5 1 49 305.446 5

Activity (Go SEA)

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