UCSF

ZINC08409934

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2006 15 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) 4.15 6.05 -4.87 0 2 0 22 264.122 2
Lo Low (pH 4.5-6) 4.15 6.7 -24.96 1 2 1 23 265.13 2

Activity (Go SEA)

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