UCSF

ZINC23372844

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 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) 2.98 4.81 -37.77 3 5 1 57 371.501 8
Mid Mid (pH 6-8) 2.98 4.67 -31.84 3 5 1 57 371.501 8
Mid Mid (pH 6-8) 2.98 2.48 -8.1 2 5 0 56 370.493 8

Activity (Go SEA)

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