UCSF

ZINC20220135

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 2.11 8.13 -88.08 2 4 2 21 305.466 4
Mid Mid (pH 6-8) 2.11 5.66 -40.78 1 4 1 20 304.458 4
Mid Mid (pH 6-8) 2.11 7.91 -108.31 2 4 2 21 305.466 4

Activity (Go SEA)

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