UCSF

ZINC09339530

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 7.29 -60.28 0 5 -1 70 421.292 6
Mid Mid (pH 6-8) 3.05 7.22 -12.88 1 5 0 67 422.3 6
Mid Mid (pH 6-8) 2.46 7.66 -13.03 0 5 0 64 422.3 6

Activity (Go SEA)

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