UCSF

ZINC44269164

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 17 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) 3.48 6.84 -6.13 3 3 0 55 247.729 2
Lo Low (pH 4.5-6) 3.48 6.94 -27.32 4 3 1 56 248.737 2

Activity (Go SEA)

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