UCSF

ZINC13425362

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 21 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) 2.98 8.78 -7.85 1 4 0 54 317.801 3
Ref Reference (pH 7) 2.98 9.15 -8.84 1 4 0 54 317.801 3
Ref Reference (pH 7) 2.98 8.43 -15.3 1 4 0 54 317.801 4
Hi High (pH 8-9.5) 2.98 7.98 -39.72 0 4 -1 56 316.793 4
Lo Low (pH 4.5-6) 3.16 8.85 -14.97 1 4 0 58 317.801 3

Activity (Go SEA)

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