UCSF

ZINC36634084

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 23 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) -0.23 0.92 -13.22 1 6 0 64 321.352 4
Mid Mid (pH 6-8) -0.23 3.21 -45.27 2 6 1 65 322.36 4
Mid Mid (pH 6-8) -0.23 3.21 -46.08 2 6 1 65 322.36 4

Activity (Go SEA)

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