UCSF

ZINC04934532

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 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) 2.48 6.1 -54.11 3 4 1 59 309.389 7
Hi High (pH 8-9.5) 2.48 4.73 -11.01 2 4 0 54 308.381 7

Activity (Go SEA)

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