UCSF

ZINC09316815

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 23 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) 2.13 -0.35 -12.94 2 7 0 101 348.409 5
Hi High (pH 8-9.5) 2.12 0.14 -52.09 1 7 -1 107 347.401 4

Activity (Go SEA)

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