UCSF

ZINC37842475

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 No

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) 0.97 1.28 -15.28 1 6 0 70 325.862 8
Mid Mid (pH 6-8) 0.97 3.42 -49.89 2 6 1 71 326.87 8

Activity (Go SEA)

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