UCSF

ZINC42171900

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 15 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) 1.06 4.71 -84.36 3 3 2 24 213.369 4
Hi High (pH 8-9.5) 1.06 2.43 -36.08 2 3 1 23 212.361 4
Mid Mid (pH 6-8) 1.06 4.71 -104.38 3 3 2 24 213.369 4

Activity (Go SEA)

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