UCSF

ZINC60700598

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 18 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) 1.75 6.67 -34.33 3 2 1 41 310.19 3
Mid Mid (pH 6-8) 1.75 6.34 -5.98 2 2 0 39 309.182 3

Activity (Go SEA)

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