UCSF

ZINC05376437

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 27 No

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) 5.07 6.76 -12.05 1 6 0 73 384.457 6
Mid Mid (pH 6-8) 4.58 6.94 -48.89 0 6 -1 72 383.449 7
Lo Low (pH 4.5-6) 4.58 7.27 -14.85 1 6 0 70 384.457 7

Activity (Go SEA)

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