UCSF

ZINC13757472

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 33 No

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) 2.91 7.03 -19.69 1 9 0 102 488.591 8
Lo Low (pH 4.5-6) 2.91 7.39 -41.19 2 9 1 104 489.599 8

Activity (Go SEA)

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