UCSF

ZINC24245932

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2009 30 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) 4.51 10.43 -13.46 1 5 0 60 432.402 5
Hi High (pH 8-9.5) 4.57 9.39 -40.17 0 5 -1 66 431.394 5

Activity (Go SEA)

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