UCSF

ZINC37066427

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 1.98 5.36 -37.1 3 5 1 56 265.381 4
Mid Mid (pH 6-8) 1.98 3.12 -5.24 2 5 0 55 264.373 4

Activity (Go SEA)

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