UCSF

ZINC04062982

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 26 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) 4.54 -0.53 -18.13 1 4 0 54 367.38 3
Lo Low (pH 4.5-6) 4.54 -0.44 -42.73 2 4 1 56 368.388 3

Activity (Go SEA)

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