UCSF

ZINC37038759

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 1.70 8.43 -117.03 4 4 2 52 297.487 6
Mid Mid (pH 6-8) 1.70 6.96 -48.48 3 4 1 51 296.479 6

Activity (Go SEA)

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