UCSF

ZINC60700568

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) 1.62 6.14 -40.06 3 2 1 41 265.739 3
Mid Mid (pH 6-8) 1.62 5.81 -3.7 2 2 0 39 264.731 3

Activity (Go SEA)

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