UCSF

ZINC42463687

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) 1.09 3.34 -42.11 3 4 1 53 253.366 5
Hi High (pH 8-9.5) 1.09 3.18 -3.82 2 4 0 52 252.358 5
Mid Mid (pH 6-8) 1.09 4.89 -27.77 3 4 1 53 253.366 5

Activity (Go SEA)

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