UCSF

ZINC70513797

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) 1.18 4.87 -80.9 4 4 2 45 283.46 6
Hi High (pH 8-9.5) 1.18 3.37 -30.65 3 4 1 40 282.452 6
Lo Low (pH 4.5-6) 1.18 6.66 -195.86 5 4 3 46 284.468 6

Activity (Go SEA)

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