UCSF

ZINC04368737

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2005 29 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) 3.19 7.55 -16.5 3 8 0 111 414.828 5
Lo Low (pH 4.5-6) 3.19 7.94 -35.99 4 8 1 113 415.836 5

Activity (Go SEA)

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