UCSF

ZINC36882420

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 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) 2.63 9.85 -113.85 3 2 2 21 246.398 6
Hi High (pH 8-9.5) 2.63 7.75 -37.45 2 2 1 20 245.39 6
Hi High (pH 8-9.5) 2.63 10 -29.69 2 2 1 16 245.39 6

Activity (Go SEA)

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