UCSF

ZINC37859293

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 21 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) 1.43 2.57 -44.29 3 6 1 83 334.487 6
Mid Mid (pH 6-8) 1.89 0.27 -59.46 2 6 0 87 333.479 6

Activity (Go SEA)

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