UCSF

ZINC37810378

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 0.73 3.71 -50.13 3 5 1 68 282.408 2
Mid Mid (pH 6-8) 0.73 3.41 -11.87 2 5 0 67 281.4 2

Activity (Go SEA)

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