UCSF

ZINC37020602

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 No

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) 1.45 6.69 -90.41 4 4 2 50 293.436 4
Mid Mid (pH 6-8) 1.45 5.5 -45.95 3 4 1 46 292.428 4

Activity (Go SEA)

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