UCSF

ZINC20034318

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 33 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) 6.73 13.57 -13.19 0 4 0 38 437.587 5
Mid Mid (pH 6-8) 6.73 14.01 -11.23 0 4 0 38 437.587 5
Mid Mid (pH 6-8) 6.73 15.88 -46.17 1 4 1 39 438.595 5
Mid Mid (pH 6-8) 6.73 16.34 -45.12 1 4 1 39 438.595 5

Activity (Go SEA)

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