UCSF

ZINC01493739

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 27 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) 3.83 1.51 -36.28 2 3 1 33 360.456 3
Lo Low (pH 4.5-6) 3.83 1.62 -88.61 3 3 2 34 361.464 3

Activity (Go SEA)

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