UCSF

ZINC08769503

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 23 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) 4.24 9.42 -16.86 1 4 0 55 327.384 5
Hi High (pH 8-9.5) 4.42 8.35 -41.38 0 4 -1 61 326.376 5

Activity (Go SEA)

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