UCSF

ZINC00660224

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 28 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) 2.53 5.98 -14.08 2 7 0 127 373.416 3
Lo Low (pH 4.5-6) 2.53 5.83 -54.4 3 7 1 129 374.424 3

Activity (Go SEA)

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