UCSF

ZINC44472538

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 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) 2.98 7.89 -109.35 3 2 2 21 214.397 5
Hi High (pH 8-9.5) 2.98 6.64 -31.43 2 2 1 16 213.389 5
Mid Mid (pH 6-8) 2.98 6.39 -31.74 2 2 1 20 213.389 5

Activity (Go SEA)

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