UCSF

ZINC06411822

Substance Information

In ZINC since Heavy atoms Benign functionality
March 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) 4.05 10 -35.3 1 2 1 14 280.391 1
Hi High (pH 8-9.5) 4.05 7.95 -5.97 0 2 0 12 279.383 1

Activity (Go SEA)

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