UCSF

ZINC21948420

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 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) 2.32 7.7 -101 4 3 2 35 317.502 5
Hi High (pH 8-9.5) 2.32 4.96 -2.91 2 3 0 32 315.486 5
Mid Mid (pH 6-8) 2.32 5.37 -44.64 3 3 1 34 316.494 5

Activity (Go SEA)

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