UCSF

ZINC45702854

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 20 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) 1.57 4.31 -64.83 2 6 0 91 320.436 8
Hi High (pH 8-9.5) 1.57 4.41 -81.48 1 6 -1 93 319.428 8
Hi High (pH 8-9.5) 1.57 2.59 -50.23 1 6 -1 90 319.428 8

Activity (Go SEA)

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