UCSF

ZINC09111117

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 24 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) 4.16 7.56 -11.97 1 4 0 58 337.379 1
Ref Reference (pH 7) 3.23 8.67 -17.47 1 4 0 55 337.379 2

Activity (Go SEA)

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