UCSF

ZINC16971714

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 24 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) 3.17 8.28 -53.18 0 4 -1 60 344.749 3
Mid Mid (pH 6-8) 3.17 8.11 -11.32 1 4 0 58 345.757 3
Mid Mid (pH 6-8) 2.59 8.47 -12.28 0 4 0 54 345.757 3

Activity (Go SEA)

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