UCSF

ZINC19570465

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2008 21 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) 3.55 8.34 -33.13 1 3 1 17 289.443 4
Mid Mid (pH 6-8) 3.55 6.08 -3.35 0 3 0 16 288.435 4

Activity (Go SEA)

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