UCSF

ZINC45654840

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 13 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) 0.00 0.74 -108.19 5 3 2 47 187.331 5
Hi High (pH 8-9.5) 0.00 0.36 -37.35 4 3 1 46 186.323 5
Mid Mid (pH 6-8) 0.00 2.72 -104.89 5 3 2 47 187.331 5
Mid Mid (pH 6-8) 0.00 1.95 -83.56 5 3 2 44 187.331 5

Activity (Go SEA)

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