UCSF

ZINC07853936

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 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) 3.06 8.79 -36.54 2 4 1 38 290.431 4
Hi High (pH 8-9.5) 3.06 7.12 -11.91 1 4 0 37 289.423 4

Activity (Go SEA)

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