UCSF

ZINC12536990

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 30 No

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) 3.76 7.58 -11.58 3 7 0 99 426.542 4
Lo Low (pH 4.5-6) 3.76 7.87 -31.97 4 7 1 101 427.55 4
Lo Low (pH 4.5-6) 3.76 3.99 -28.5 4 7 1 101 427.55 4

Activity (Go SEA)

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