UCSF

ZINC00507751

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 16 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) 2.97 0.07 -6.41 1 2 0 29 208.264 1
Lo Low (pH 4.5-6) 2.97 0.18 -37.74 2 2 1 30 209.272 1

Activity (Go SEA)

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