UCSF

ZINC00187302

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 20 No

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) 2.88 7.46 -19.61 1 4 0 64 270.284 5
Mid Mid (pH 6-8) 4.07 6.4 -56.86 1 4 -1 70 269.276 4
Mid Mid (pH 6-8) 2.88 8.47 -65.73 0 4 -1 66 269.276 5

Activity (Go SEA)

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