UCSF

ZINC37825798

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 14 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) -0.36 4.02 -47.4 2 4 1 61 214.314 4
Mid Mid (pH 6-8) -0.36 2.91 -13.84 1 4 0 56 213.306 4

Activity (Go SEA)

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