UCSF

ZINC08843592

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 25 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) 4.62 3.31 -11.55 1 4 0 65 373.444 6
Lo Low (pH 4.5-6) 4.62 3.45 -43.66 2 4 1 67 374.452 6

Activity (Go SEA)

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