UCSF

ZINC31820641

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2009 26 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) 2.73 6.41 -12.94 1 6 0 69 349.39 4
Ref Reference (pH 7) 2.55 9.08 -12.71 1 6 0 65 349.39 4
Lo Low (pH 4.5-6) 2.55 9.55 -38.68 2 6 1 67 350.398 4

Activity (Go SEA)

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