UCSF

ZINC45703954

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 18 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) 1.07 2.9 -37.3 3 5 1 55 260.402 11
Hi High (pH 8-9.5) 1.07 2.05 -38.27 3 5 1 58 260.402 11
Lo Low (pH 4.5-6) 1.07 4.07 -111.64 4 5 2 59 261.41 11

Activity (Go SEA)

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