UCSF

ZINC20261740

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 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) 1.12 7.64 -106.24 4 3 2 47 259.397 5
Hi High (pH 8-9.5) 1.12 6.89 -4.42 2 3 0 44 257.381 5
Mid Mid (pH 6-8) 1.12 7.2 -52.1 3 3 1 45 258.389 5

Activity (Go SEA)

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