UCSF

ZINC37049825

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 2.00 3.9 -42.14 3 4 1 49 279.404 6
Mid Mid (pH 6-8) 2.00 5.83 -97.54 4 4 2 51 280.412 6

Activity (Go SEA)

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