UCSF

ZINC40077794

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 32 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.55 7.97 -57.83 1 7 -1 99 503.369 9
Hi High (pH 8-9.5) 4.55 8.88 -115.41 0 7 -2 102 502.361 9
Lo Low (pH 4.5-6) 4.55 7.22 -15.02 2 7 0 96 504.377 9

Activity (Go SEA)

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