UCSF

ZINC37859264

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 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) 1.69 1.81 -10.97 2 5 0 79 298.389 4
Mid Mid (pH 6-8) 2.15 -0.51 -41.46 1 5 -1 82 297.381 4

Activity (Go SEA)

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