UCSF

ZINC36979158

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) 3.83 8.67 -38.55 3 2 1 37 304.841 6
Hi High (pH 8-9.5) 3.83 7.94 -4 2 2 0 32 303.833 6

Activity (Go SEA)

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