UCSF

ZINC55118732

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 26 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) 3.70 9.16 -40.48 2 3 1 28 351.514 4
Hi High (pH 8-9.5) 3.70 9.56 -39.28 2 3 1 28 351.514 4
Hi High (pH 8-9.5) 3.70 7.1 -4.43 1 3 0 27 350.506 4

Activity (Go SEA)

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