UCSF

ZINC19636509

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 23 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) 4.29 11.41 -36.93 1 2 1 8 309.477 6
Hi High (pH 8-9.5) 4.29 9.47 -2.88 0 2 0 6 308.469 6
Mid Mid (pH 6-8) 4.29 11.72 -37.08 1 2 1 8 309.477 6

Activity (Go SEA)

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