UCSF

ZINC45685129

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) 2.76 5.35 -44.73 2 4 1 38 293.431 5
Hi High (pH 8-9.5) 2.76 4.15 -3.88 1 4 0 34 292.423 5
Lo Low (pH 4.5-6) 2.76 7.14 -118.3 3 4 2 40 294.439 5

Activity (Go SEA)

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