UCSF

ZINC37066419

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 2.62 5.99 -37.75 3 5 1 56 279.408 6
Mid Mid (pH 6-8) 2.62 3.76 -5.22 2 5 0 55 278.4 6

Activity (Go SEA)

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