UCSF

ZINC04134033

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 25 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) 2.53 -0.94 -15.59 2 7 0 85 341.367 7
Mid Mid (pH 6-8) 2.53 -0.76 -37.3 3 7 1 86 342.375 7

Activity (Go SEA)

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