UCSF

ZINC70515177

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) 1.03 3.19 -94.57 5 4 2 56 277.412 5
Hi High (pH 8-9.5) 1.03 0.98 -43.4 4 4 1 54 276.404 5
Hi High (pH 8-9.5) 1.03 3.53 -31.31 4 4 1 54 276.404 5
Hi High (pH 8-9.5) 1.03 1.23 -3.8 3 4 0 53 275.396 5

Activity (Go SEA)

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