UCSF

ZINC09152428

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2007 34 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) 5.37 14.32 -42.05 2 6 0 80 458.558 10
Mid Mid (pH 6-8) 5.37 12.96 -58.42 1 6 -1 76 457.55 10

Activity (Go SEA)

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