UCSF

ZINC37079722

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) 1.05 3.53 -26.88 3 3 1 34 240.415 5
Hi High (pH 8-9.5) 1.05 3.84 -33.35 3 3 1 34 240.415 5
Mid Mid (pH 6-8) 1.05 6.33 -88.9 4 3 2 35 241.423 5
Mid Mid (pH 6-8) 1.05 3.9 -116.03 4 3 2 35 241.423 5

Activity (Go SEA)

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