UCSF

ZINC19794598

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) 1.43 2.05 -37.83 3 4 1 48 285.452 5
Hi High (pH 8-9.5) 1.43 0.31 -4.21 2 4 0 47 284.444 5
Mid Mid (pH 6-8) 1.43 2.61 -37.82 3 4 1 48 285.452 5
Mid Mid (pH 6-8) 1.43 4.21 -107.58 4 4 2 49 286.46 5

Activity (Go SEA)

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