UCSF

ZINC09539943

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2007 28 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) 2.53 -9.1 -14.4 1 8 0 102 446.934 6
Hi High (pH 8-9.5) 2.53 -8.54 -45.87 0 8 -1 104 445.926 6

Activity (Go SEA)

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