UCSF

ZINC22784026

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 30 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) 4.40 10.47 -39.56 3 4 1 51 420.964 6
Mid Mid (pH 6-8) 4.40 8.17 -8.4 2 4 0 50 419.956 6
Mid Mid (pH 6-8) 4.40 9.84 -34.68 3 4 1 51 420.964 6

Activity (Go SEA)

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