UCSF

ZINC42450536

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) 1.09 1.69 -41.09 3 4 1 49 245.387 7
Hi High (pH 8-9.5) 1.09 0.29 -2.89 2 4 0 45 244.379 7
Mid Mid (pH 6-8) 1.09 3.59 -104.69 4 4 2 51 246.395 7

Activity (Go SEA)

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