UCSF

ZINC03945066

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 33 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) 5.92 11.34 -41.34 0 6 -1 91 477.327 6
Mid Mid (pH 6-8) 5.92 -0.06 -17.71 1 6 0 88 478.335 6

Activity (Go SEA)

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