UCSF

ZINC07381974

Substance Information

In ZINC since Heavy atoms Benign functionality
May 27th, 2006 21 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) 4.55 7.44 -8 1 3 0 46 307.39 5
Hi High (pH 8-9.5) 4.55 7.5 -41.58 0 3 -1 48 306.382 5

Activity (Go SEA)

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