UCSF

ZINC39320290

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 16 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) 2.07 10.21 -40.01 1 3 1 43 212.276 4
Mid Mid (pH 6-8) 2.07 9.7 -12.16 0 3 0 42 211.268 4

Activity (Go SEA)

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