UCSF

ZINC04270342

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 25 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) 3.50 -3.62 -12.14 1 5 0 66 356.447 4
Hi High (pH 8-9.5) 3.50 -3.04 -42.8 0 5 -1 68 355.439 4

Activity (Go SEA)

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