UCSF

ZINC22148137

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 15 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) -1.89 4.21 -66.91 3 6 0 99 211.221 5
Mid Mid (pH 6-8) -1.89 3.7 -52.52 2 6 -1 98 210.213 5
Mid Mid (pH 6-8) -1.89 3.64 -62.14 2 6 -1 98 210.213 5

Activity (Go SEA)

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