UCSF

ZINC59710624

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2011 21 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) 2.28 5.68 -40.4 2 5 1 49 298.451 4
Lo Low (pH 4.5-6) 2.28 7.56 -115.87 3 5 2 51 299.459 4

Activity (Go SEA)

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