UCSF

ZINC45685385

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 0.91 5.1 -47.74 3 4 1 49 293.431 5
Hi High (pH 8-9.5) 0.91 4.3 -4.36 2 4 0 48 292.423 5
Lo Low (pH 4.5-6) 0.91 6.57 -137.27 4 4 2 51 294.439 5

Activity (Go SEA)

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