UCSF

ZINC00153863

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 22 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) 3.71 6.77 -8.96 1 4 0 49 316.426 4
Hi High (pH 8-9.5) 3.71 6.82 -49.68 0 4 -1 51 315.418 4

Activity (Go SEA)

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