UCSF

ZINC34114072

Substance Information

In ZINC since Heavy atoms Benign functionality
August 11th, 2009 22 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) 3.47 9.09 -11.59 0 3 0 33 298.361 4
Lo Low (pH 4.5-6) 3.47 9.56 -46.63 1 3 1 34 299.369 4

Activity (Go SEA)

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