UCSF

ZINC23153246

Substance Information

In ZINC since Heavy atoms Benign functionality
December 26th, 2008 27 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) 2.73 10.59 -37.81 1 5 1 29 366.533 3
Hi High (pH 8-9.5) 2.73 9.02 -7.83 0 5 0 28 365.525 3
Lo Low (pH 4.5-6) 2.73 12.65 -116.41 2 5 2 30 367.541 3

Activity (Go SEA)

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