UCSF

ZINC44651560

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 15 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) 0.94 4.01 -46.35 3 4 1 59 226.325 5
Hi High (pH 8-9.5) 1.50 2.09 -8.12 2 4 0 57 225.317 4
Mid Mid (pH 6-8) 0.75 2.76 -37.36 2 4 0 65 225.317 5

Activity (Go SEA)

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