UCSF

ZINC13121866

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 25 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) 1.88 10.81 -16.43 2 7 0 89 333.351 3
Hi High (pH 8-9.5) 2.07 8.8 -58.52 1 7 -1 95 332.343 3

Activity (Go SEA)

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