UCSF

ZINC05445528

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2006 24 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) 3.35 8.2 -52.41 0 4 -1 60 389.2 3
Lo Low (pH 4.5-6) 3.35 7.44 -12.36 1 4 0 58 390.208 3

Activity (Go SEA)

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