UCSF

ZINC37859262

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) 2.35 2.43 -13.1 2 5 0 79 332.834 5
Mid Mid (pH 6-8) 2.81 0.13 -42.18 1 5 -1 82 331.826 5

Activity (Go SEA)

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