UCSF

ZINC15230019

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2008 28 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) 2.42 5.66 -62.9 1 6 -1 90 445.289 8
Mid Mid (pH 6-8) 2.87 4.58 -30.85 2 6 0 87 446.297 7
Mid Mid (pH 6-8) 1.84 5.54 -24.14 1 6 0 84 446.297 8

Activity (Go SEA)

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