UCSF

ZINC34582433

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 14 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) -0.40 6.53 -199.77 0 6 -3 120 199.138 5
Lo Low (pH 4.5-6) -0.40 4.4 -97.31 1 6 -2 118 200.146 5
Lo Low (pH 4.5-6) -0.40 4.56 -129.86 1 6 -2 118 200.146 5

Activity (Go SEA)

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