UCSF

ZINC20200429

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 21 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) 2.93 6.79 -33.44 2 3 1 20 294.438 5
Hi High (pH 8-9.5) 2.93 6.08 -40.15 2 3 1 23 294.438 5
Lo Low (pH 4.5-6) 2.93 8.08 -100.14 3 3 2 24 295.446 5

Activity (Go SEA)

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