UCSF

ZINC36876272

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 15 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) 1.37 4.07 -50.09 4 3 1 56 222.699 3
Lo Low (pH 4.5-6) 1.37 4.48 -113.17 5 3 2 58 223.707 3
Lo Low (pH 4.5-6) 1.37 4.5 -113.19 5 3 2 58 223.707 3

Activity (Go SEA)

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