UCSF

ZINC21054078

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 18 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) 4.41 7.45 -28.36 2 2 1 20 255.47 5
Hi High (pH 8-9.5) 4.41 9.29 -32.78 2 2 1 16 255.47 5
Mid Mid (pH 6-8) 4.41 9.5 -106.65 3 2 2 21 256.478 5

Activity (Go SEA)

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