UCSF

ZINC22787451

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) 3.61 7.9 -40.11 2 5 1 44 371.501 9
Mid Mid (pH 6-8) 3.61 5.37 -6.42 1 5 0 43 370.493 9
Mid Mid (pH 6-8) 3.61 6.74 -46.24 2 5 1 48 371.501 9

Activity (Go SEA)

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