UCSF

ZINC42741990

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 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) 1.67 4.54 -105.76 4 3 2 35 243.439 4
Hi High (pH 8-9.5) 1.67 3.88 -108.07 4 3 2 35 243.439 4
Hi High (pH 8-9.5) 1.67 6.02 -90.21 4 3 2 35 243.439 4
Hi High (pH 8-9.5) 1.67 3.89 -35.12 3 3 1 34 242.431 4
Lo Low (pH 4.5-6) 1.67 6.25 -207.51 5 3 3 37 244.447 4

Activity (Go SEA)

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