UCSF

ZINC12414949

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2008 32 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) 2.47 -0.17 -30.81 1 9 0 105 454.508 6
Lo Low (pH 4.5-6) 2.47 -0.13 -49.89 2 9 1 106 455.516 6

Activity (Go SEA)

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