UCSF

ZINC03074814

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 15 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) 2.71 7.88 -52.27 0 3 -1 57 211.281 10
Lo Low (pH 4.5-6) 2.71 6.76 -13.57 1 3 0 54 212.289 10

Activity (Go SEA)

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