UCSF

ZINC19977605

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 0.48 3.11 -46.21 3 5 1 73 259.333 3
Mid Mid (pH 6-8) 0.48 3.87 -35.32 3 5 1 69 259.333 3
Lo Low (pH 4.5-6) 0.48 5.26 -118.82 4 5 2 74 260.341 3

Activity (Go SEA)

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