UCSF

ZINC08846006

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 36 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) 5.72 1.99 -11.08 0 6 0 72 502.998 7
Lo Low (pH 4.5-6) 5.72 2.1 -41.31 1 6 1 73 504.006 7

Activity (Go SEA)

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