UCSF

ZINC34462594

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 24 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) 5.90 11.6 -5.79 1 2 0 21 315.416 5
Lo Low (pH 4.5-6) 5.90 11.86 -44.75 2 2 1 26 316.424 5

Activity (Go SEA)

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