UCSF

ZINC07052612

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2006 19 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) 3.24 -2.58 -11.01 1 4 0 69 337.198 3
Hi High (pH 8-9.5) 3.24 -2 -34.98 0 4 -1 72 336.19 3

Activity (Go SEA)

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