UCSF

ZINC16973531

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 23 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) 2.70 5.89 -57.9 1 4 -1 69 310.304 3
Mid Mid (pH 6-8) 2.70 6.04 -12.58 2 4 0 66 311.312 3
Mid Mid (pH 6-8) 2.11 6.4 -11.14 1 4 0 63 311.312 3

Activity (Go SEA)

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