UCSF

ZINC19814240

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 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) -0.04 6.13 -46.9 2 5 1 74 273.36 5
Hi High (pH 8-9.5) -0.04 4.84 -15.47 1 5 0 69 272.352 5

Activity (Go SEA)

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