UCSF

ZINC19804228

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 17 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) 1.82 7.76 -46.77 3 1 1 28 230.306 3
Hi High (pH 8-9.5) 1.82 7.43 -4.03 2 1 0 26 229.298 3

Activity (Go SEA)

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