UCSF

ZINC09969642

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2007 29 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) 2.95 5.49 -56.39 1 6 -1 90 463.279 7
Mid Mid (pH 6-8) 3.40 -2.67 -28.88 2 6 0 87 464.287 6
Mid Mid (pH 6-8) 2.37 -2.39 -23.49 1 6 0 83 464.287 7

Activity (Go SEA)

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