UCSF

ZINC20467695

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 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) 2.62 3.15 -10.64 3 5 0 85 342.218 3
Mid Mid (pH 6-8) 2.62 3.21 -36.61 2 5 -1 87 341.21 3

Activity (Go SEA)

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