UCSF

ZINC40312993

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2010 25 Yes

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) 2.32 8.48 -45.34 3 7 1 89 343.407 6
Ref Reference (pH 7) 2.32 8.02 -15.21 2 7 0 87 342.399 6
Mid Mid (pH 6-8) 2.32 8.02 -14.86 2 7 0 87 342.399 6
Mid Mid (pH 6-8) 2.32 8.48 -45.47 3 7 1 89 343.407 6

Activity (Go SEA)

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