UCSF

ZINC48840249

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2010 19 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) 1.20 4.99 -67.47 2 5 0 73 266.341 6
Lo Low (pH 4.5-6) 1.20 7.12 -91.78 3 5 1 74 267.349 6

Activity (Go SEA)

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