UCSF

ZINC09339529

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2007 25 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) 3.05 6.95 -63.8 0 5 -1 70 421.292 6
Mid Mid (pH 6-8) 3.49 7.42 -15.71 1 5 0 67 422.3 5

Activity (Go SEA)

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