UCSF

ZINC61745600

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2011 17 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) 2.09 7.72 -39.25 1 5 1 59 237.279 4
Hi High (pH 8-9.5) 2.09 5.24 -6.26 0 5 0 58 236.271 4

Activity (Go SEA)

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