UCSF

ZINC31929659

Substance Information

In ZINC since Heavy atoms Benign functionality
April 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) 3.38 6.41 -9.79 1 4 0 42 402.276 5
Mid Mid (pH 6-8) 3.38 8.17 -43.92 2 4 1 43 403.284 5

Activity (Go SEA)

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