UCSF

ZINC36869288

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 0.98 3.45 -15.77 1 7 0 97 314.363 5
Hi High (pH 8-9.5) 1.44 1.5 -51.87 0 7 -1 100 313.355 5

Activity (Go SEA)

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