UCSF

ZINC44133083

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 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) 2.35 5.79 -34.47 2 3 1 28 277.432 4
Lo Low (pH 4.5-6) 2.35 8.07 -98.85 3 3 2 29 278.44 4

Activity (Go SEA)

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