UCSF

ZINC21628947

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 30 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) 3.63 8.05 -68.97 2 6 1 71 434.557 8
Mid Mid (pH 6-8) 3.63 8.95 -28.87 1 6 0 70 433.549 8

Activity (Go SEA)

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