UCSF

ZINC45190776

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2010 39 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) 5.51 12.3 -17.45 3 9 0 101 524.625 11
Mid Mid (pH 6-8) 5.51 14.57 -53.79 4 9 1 102 525.633 11
Lo Low (pH 4.5-6) 5.51 14.94 -86.83 5 9 2 103 526.641 11

Activity (Go SEA)

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