UCSF

ZINC09274033

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 32 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) 6.01 12.76 -61.28 0 5 -1 73 479.99 4
Mid Mid (pH 6-8) 6.46 11.94 -23.11 1 5 0 71 480.998 3

Activity (Go SEA)

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