UCSF

ZINC50287534

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2010 21 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) 2.32 8.17 -40.1 2 4 1 43 287.431 7
Hi High (pH 8-9.5) 2.32 6.02 -6.27 1 4 0 42 286.423 7
Lo Low (pH 4.5-6) 2.32 8.74 -83.1 3 4 2 45 288.439 7

Activity (Go SEA)

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