UCSF

ZINC08847679

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) 5.11 9 -11.04 0 4 0 48 328.371 3
Lo Low (pH 4.5-6) 5.11 9.27 -34.56 1 4 1 49 329.379 3

Activity (Go SEA)

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