UCSF

ZINC09349749

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2007 35 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) 2.22 4.74 -69.96 1 9 -1 127 501.581 11
Mid Mid (pH 6-8) 2.67 4.9 -17.22 2 9 0 124 502.589 10

Activity (Go SEA)

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