UCSF

ZINC19913256

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 18 No

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) 1.30 7.69 -59.83 1 5 0 48 263.37 5
Mid Mid (pH 6-8) 0.57 7.85 -49.02 2 5 1 51 264.378 5

Activity (Go SEA)

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