UCSF

ZINC26510876

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 12 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) 0.91 4.78 -108.24 4 2 2 32 170.3 3
Mid Mid (pH 6-8) 0.91 2.81 -42.5 3 2 1 31 169.292 3
Mid Mid (pH 6-8) 0.91 4.33 -27.16 3 2 1 30 169.292 3

Activity (Go SEA)

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