UCSF

ZINC08742877

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 28 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 7.88 -52.64 0 6 -1 80 372.404 2
Ref Reference (pH 7) 3.35 8.01 -51.47 0 6 -1 80 372.404 2
Lo Low (pH 4.5-6) 2.89 10.42 -12.03 1 6 0 77 373.412 2

Activity (Go SEA)

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