UCSF

ZINC37042717

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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) 1.67 3.87 -59.15 4 5 1 77 296.435 3
Mid Mid (pH 6-8) 1.67 3.6 -12.1 3 5 0 75 295.427 3

Activity (Go SEA)

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