UCSF

ZINC12197086

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 32 No

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) 4.18 12.69 -11.26 1 6 0 72 445.544 8
Hi High (pH 8-9.5) 4.72 11.61 -44.72 0 6 -1 74 444.536 9

Activity (Go SEA)

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