UCSF

ZINC34654631

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 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) 2.27 6.62 -44.28 3 3 1 44 256.373 6
Lo Low (pH 4.5-6) 2.27 7.08 -86.45 4 3 2 45 257.381 6

Activity (Go SEA)

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