UCSF

ZINC33873650

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 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) 3.12 1.94 -43.03 0 5 -1 75 268.248 3
Lo Low (pH 4.5-6) 2.66 4.55 -10.61 1 5 0 72 269.256 3

Activity (Go SEA)

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