UCSF

ZINC37859253

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 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) 1.97 1.85 -12.87 2 5 0 79 316.379 4
Mid Mid (pH 6-8) 2.42 -0.32 -44.94 1 5 -1 82 315.371 4

Activity (Go SEA)

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