UCSF

ZINC37859133

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) 3.44 5.03 -9.87 1 5 0 70 334.507 8
Mid Mid (pH 6-8) 3.90 2.89 -42.5 0 5 -1 73 333.499 8

Activity (Go SEA)

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