UCSF

ZINC37081897

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 1.29 4.96 -123.56 4 4 2 51 266.385 5
Mid Mid (pH 6-8) 1.29 4.56 -32.11 3 4 1 49 265.377 5
Mid Mid (pH 6-8) 1.29 2.34 -48.06 3 4 1 49 265.377 5

Activity (Go SEA)

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