UCSF

ZINC44722877

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 19 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) 1.61 7.95 -74.51 3 4 2 35 258.369 4
Hi High (pH 8-9.5) 1.61 5.16 -9.33 1 4 0 33 256.353 4
Mid Mid (pH 6-8) 1.61 7.5 -37.54 2 4 1 34 257.361 4

Activity (Go SEA)

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