UCSF

ZINC00596866

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 29 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) 6.17 1.12 -13.2 0 4 0 37 450.435 8
Mid Mid (pH 6-8) 2.43 1.31 -27.36 1 4 1 40 451.443 8

Activity (Go SEA)

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