UCSF

ZINC37094992

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 0.69 7.07 -120.54 4 2 2 32 220.36 4
Hi High (pH 8-9.5) 0.69 5.31 -1.55 2 2 0 29 218.344 4
Mid Mid (pH 6-8) 0.69 6.75 -33.03 3 2 1 30 219.352 4
Mid Mid (pH 6-8) 0.69 5.6 -36.58 3 2 1 31 219.352 4

Activity (Go SEA)

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