UCSF

ZINC20561631

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 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) 1.61 3.42 -45.12 3 5 1 68 304.823 3
Mid Mid (pH 6-8) 1.61 1.08 -8.77 2 5 0 67 303.815 3

Activity (Go SEA)

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