UCSF

ZINC09470705

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 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) 4.07 11.22 -57.77 0 6 -1 79 505.344 5
Mid Mid (pH 6-8) 4.52 9.45 -26.45 1 6 0 76 506.352 4

Activity (Go SEA)

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