UCSF

ZINC30903977

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2009 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) 2.88 7.84 -17.7 1 6 0 66 409.873 3
Ref Reference (pH 7) 2.88 7.6 -14.96 1 6 0 66 409.873 3
Mid Mid (pH 6-8) 2.88 10.02 -58.64 2 6 1 67 410.881 3
Mid Mid (pH 6-8) 2.88 10.03 -61.54 2 6 1 67 410.881 3

Activity (Go SEA)

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