UCSF

ZINC44886514

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 21 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) -0.01 -0.54 -35.63 1 9 -1 121 286.275 3
Lo Low (pH 4.5-6) -0.01 -0.28 -15.63 2 9 0 122 287.283 3

Activity (Go SEA)

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