UCSF

ZINC20595301

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 14 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) 2.81 4.01 -43.76 3 2 1 37 198.261 4
Mid Mid (pH 6-8) 2.81 4.73 -66 2 2 0 40 197.253 4

Activity (Go SEA)

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