UCSF

ZINC31821081

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) 2.78 6.32 -11.18 1 6 0 69 349.39 4
Ref Reference (pH 7) 2.60 9 -11.04 1 6 0 65 349.39 4
Lo Low (pH 4.5-6) 2.60 9.44 -42.66 2 6 1 67 350.398 4

Activity (Go SEA)

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