UCSF

ZINC06456384

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2006 22 No

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) 3.16 10.81 -11.19 0 3 0 35 326.446 2
Lo Low (pH 4.5-6) 3.16 11.09 -47.17 1 3 1 36 327.454 2

Activity (Go SEA)

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