UCSF

ZINC13687240

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 31 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) 2.71 2.45 -17.55 1 8 0 104 455.517 6
Lo Low (pH 4.5-6) 2.71 2.73 -54.35 2 8 1 105 456.525 6

Activity (Go SEA)

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