UCSF

ZINC70514157

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 20 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) 1.52 2.35 -38.41 4 4 1 60 279.404 7
Hi High (pH 8-9.5) 1.52 2.2 -4.56 3 4 0 59 278.396 7
Lo Low (pH 4.5-6) 1.52 3.81 -116.2 5 4 2 62 280.412 7
Lo Low (pH 4.5-6) 1.52 3.82 -30.29 4 4 1 60 279.404 7

Activity (Go SEA)

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