UCSF

ZINC07038097

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 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) 1.79 3.06 -11.75 2 4 0 62 221.285 4
Hi High (pH 8-9.5) 1.79 2.9 -48.6 1 4 -1 60 220.277 4

Activity (Go SEA)

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