UCSF

ZINC00108109

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 19 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) 0.30 5.44 -47.23 1 5 1 43 263.317 1
Mid Mid (pH 6-8) 0.30 3.09 -10.52 0 5 0 42 262.309 1

Activity (Go SEA)

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