UCSF

ZINC04704642

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2005 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) 4.72 7.5 -10.83 1 6 0 73 384.457 5
Mid Mid (pH 6-8) 4.23 6.98 -47.62 0 6 -1 72 383.449 6

Activity (Go SEA)

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