UCSF

ZINC42295658

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 21 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) 4.96 9.57 -10.3 1 4 0 58 414.097 5
Mid Mid (pH 6-8) 4.96 10.67 -63.49 2 4 1 62 415.105 5

Activity (Go SEA)

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