UCSF

ZINC27663086

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 28 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) 2.72 7.86 -14.28 2 5 0 71 395.459 5
Lo Low (pH 4.5-6) 2.72 8.3 -50.36 3 5 1 72 396.467 5

Activity (Go SEA)

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