UCSF

ZINC43413732

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 1.64 4.88 -70.51 4 5 0 97 282.384 6
Lo Low (pH 4.5-6) 1.64 2.9 -57.63 5 5 1 94 283.392 6

Activity (Go SEA)

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