UCSF

ZINC42549306

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 13 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) -1.25 1.62 -49.97 4 4 1 60 202.303 3
Hi High (pH 8-9.5) -1.25 -1.05 -17.54 3 4 0 58 201.295 3

Activity (Go SEA)

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