UCSF

ZINC35053724

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 21 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) 1.50 5.44 -58.81 2 6 0 91 332.447 5
Hi High (pH 8-9.5) 1.50 3.23 -46.46 1 6 -1 90 331.439 5

Activity (Go SEA)

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