UCSF

ZINC70513795

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) 1.48 4.83 -89.41 5 4 2 56 285.476 5
Hi High (pH 8-9.5) 1.48 4.5 -30.88 4 4 1 54 284.468 5
Lo Low (pH 4.5-6) 1.48 5.04 -184.7 6 4 3 57 286.484 5

Activity (Go SEA)

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