UCSF

ZINC13496166

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 31 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) 2.61 -1.03 -21.69 2 10 0 133 464.525 9
Hi High (pH 8-9.5) 2.61 -0.96 -44.95 1 10 -1 135 463.517 9

Activity (Go SEA)

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