UCSF

ZINC05304968

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 29 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) 2.12 -0.26 -13.76 1 6 0 76 388.402 5
Lo Low (pH 4.5-6) 2.12 -0.15 -38.93 2 6 1 78 389.41 5

Activity (Go SEA)

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