UCSF

ZINC13689450

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 25 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) 4.77 5.82 -37.45 1 5 -1 74 394.259 4
Ref Reference (pH 7) 5.26 6.33 -8.7 2 5 0 75 395.267 3
Hi High (pH 8-9.5) 5.72 4.58 -41.08 1 5 -1 78 394.259 3

Activity (Go SEA)

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