UCSF

ZINC19834145

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 13 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) 2.03 5.16 -6.91 0 2 0 27 259.172 4
Mid Mid (pH 6-8) 2.03 7.56 -52.9 1 2 1 28 260.18 4

Activity (Go SEA)

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