UCSF

ZINC00589691

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 31 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) 2.64 -2.69 -19.23 2 7 0 92 412.449 4
Mid Mid (pH 6-8) -0.61 -2.5 -38.82 3 7 1 94 413.457 3

Activity (Go SEA)

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