UCSF

ZINC58277863

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 23 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) 2.54 8.64 -39.96 2 4 1 47 317.384 4
Hi High (pH 8-9.5) 2.54 6.36 -8.99 1 4 0 45 316.376 4

Activity (Go SEA)

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