UCSF

ZINC02645953

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2004 27 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) 2.53 2.33 -50.58 1 8 -1 117 424.505 7
Hi High (pH 8-9.5) 2.53 2.37 -111.88 0 8 -2 119 423.497 7
Mid Mid (pH 6-8) 3.46 2.87 -20.43 2 8 0 118 425.513 6

Activity (Go SEA)

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