UCSF

ZINC01916432

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 29 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) 7.25 13.69 -13.63 1 4 0 51 514.272 6
Hi High (pH 8-9.5) 7.44 12.62 -38.1 0 4 -1 58 513.264 6

Activity (Go SEA)

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