UCSF

ZINC70514536

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) 1.60 4.25 -78.44 4 4 2 45 285.476 8
Hi High (pH 8-9.5) 1.60 4.19 -32.57 3 4 1 40 284.468 8
Lo Low (pH 4.5-6) 1.60 5.89 -182.21 5 4 3 46 286.484 8

Activity (Go SEA)

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