UCSF

ZINC37860371

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) -0.46 0.24 -17.05 1 8 0 94 334.423 2
Mid Mid (pH 6-8) -0.01 -1.95 -45.27 0 8 -1 97 333.415 2

Activity (Go SEA)

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