UCSF

ZINC13676286

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 24 Yes

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) 4.06 7.75 -10.82 1 5 0 72 365.476 7
Hi High (pH 8-9.5) 4.06 7.81 -37.92 0 5 -1 75 364.468 7

Activity (Go SEA)

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