UCSF

ZINC09463619

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 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) 4.60 11.71 -40.78 0 6 -1 79 474.508 9
Mid Mid (pH 6-8) 4.02 1.15 -18.5 0 6 0 72 475.516 9

Activity (Go SEA)

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