UCSF

ZINC20311558

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 18 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) 3.99 6.13 -9.73 1 2 0 33 273.382 2
Hi High (pH 8-9.5) 3.99 6.91 -42.7 0 2 -1 36 272.374 2

Activity (Go SEA)

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