UCSF

ZINC36877279

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) 1.30 3.68 -45.58 3 5 1 64 248.306 5
Hi High (pH 8-9.5) 1.31 2.25 -10.82 2 5 0 59 247.298 5

Activity (Go SEA)

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