UCSF

ZINC09339540

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 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) 3.11 6.37 -69.39 0 8 -1 97 454.499 10
Mid Mid (pH 6-8) 3.55 6.65 -16.18 1 8 0 95 455.507 9

Activity (Go SEA)

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