UCSF

ZINC07421973

Substance Information

In ZINC since Heavy atoms Benign functionality
May 28th, 2006 20 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) 3.30 -6.02 -9.26 2 4 0 66 332.208 4
Hi High (pH 8-9.5) 3.30 -5.44 -39.06 1 4 -1 68 331.2 4

Activity (Go SEA)

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