UCSF

ZINC37859447

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 17 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) 1.34 1.88 -10.24 1 5 0 70 276.383 4
Mid Mid (pH 6-8) 1.80 -0.24 -41.24 0 5 -1 73 275.375 4

Activity (Go SEA)

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