UCSF

ZINC42463209

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 1.30 4.09 -89.45 3 4 2 34 257.422 4
Hi High (pH 8-9.5) 1.30 1.97 -35.2 2 4 1 32 256.414 4
Hi High (pH 8-9.5) 1.30 0.41 -2.51 1 4 0 28 255.406 4

Activity (Go SEA)

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