UCSF

ZINC21715630

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 30 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) 3.35 10.8 -12.54 1 5 0 52 396.494 3
Lo Low (pH 4.5-6) 3.35 11.25 -55.62 2 5 1 53 397.502 3

Activity (Go SEA)

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