UCSF

ZINC40240932

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 16 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) 2.51 6.08 -37.57 2 2 1 20 219.352 3
Hi High (pH 8-9.5) 2.51 4.81 -2.12 1 2 0 15 218.344 3
Mid Mid (pH 6-8) 2.51 6.59 -32.3 2 2 1 16 219.352 3

Activity (Go SEA)

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