UCSF

ZINC36876340

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 16 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) 1.46 4.12 -51.56 4 3 1 56 240.689 3
Lo Low (pH 4.5-6) 1.46 4.52 -116.51 5 3 2 58 241.697 3
Lo Low (pH 4.5-6) 1.46 4.54 -116.66 5 3 2 58 241.697 3

Activity (Go SEA)

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