UCSF

ZINC13282458

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 15 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) 4.14 8.64 -6.14 0 1 0 13 199.297 4
Lo Low (pH 4.5-6) 4.14 8.89 -26.41 1 1 1 14 200.305 4

Activity (Go SEA)

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