UCSF

ZINC09531580

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2007 34 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) 5.41 13.63 -37.53 2 6 0 80 456.542 10
Hi High (pH 8-9.5) 5.41 12.25 -58.85 1 6 -1 76 455.534 10

Activity (Go SEA)

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