UCSF

ZINC01505587

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2004 30 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) 2.09 -5.43 -24.72 2 9 0 127 426.454 7
Hi High (pH 8-9.5) 2.09 -4.94 -57.13 1 9 -1 129 425.446 7

Activity (Go SEA)

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