UCSF

ZINC42240210

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 18 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) 4.86 6.32 -8.94 2 3 0 49 371.028 2
Hi High (pH 8-9.5) 4.86 7.33 -51.87 1 3 -1 52 370.02 2

Activity (Go SEA)

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