UCSF

ZINC04348798

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2005 27 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) 4.68 8.14 -10.54 0 5 0 47 363.461 4
Ref Reference (pH 7) 4.68 7.61 -12.04 0 5 0 47 363.461 4
Lo Low (pH 4.5-6) 4.68 9.92 -43.81 1 5 1 48 364.469 4

Activity (Go SEA)

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