UCSF

ZINC00220544

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 24 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) 1.17 7.68 -16.83 1 5 0 62 323.396 5
Lo Low (pH 4.5-6) 1.17 8.15 -53.34 2 5 1 64 324.404 5

Activity (Go SEA)

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