UCSF

ZINC00100097

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 11 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) 0.84 4.33 -93.27 3 2 2 21 156.273 1
Hi High (pH 8-9.5) 0.84 1.81 -38.3 2 2 1 20 155.265 1
Hi High (pH 8-9.5) 0.84 2.9 -31.64 2 2 1 16 155.265 1

Activity (Go SEA)

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