UCSF

ZINC20200271

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 17 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) 2.23 6.58 -91.67 3 3 2 24 241.423 4
Mid Mid (pH 6-8) 2.23 6.06 -113.82 3 3 2 24 241.423 4
Mid Mid (pH 6-8) 2.23 4.11 -35.15 2 3 1 23 240.415 4

Activity (Go SEA)

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