UCSF

ZINC04382624

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2005 30 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) 5.78 11.71 -18.32 1 5 0 48 401.51 7
Mid Mid (pH 6-8) 5.78 12.13 -26.58 2 5 1 49 402.518 7

Activity (Go SEA)

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