UCSF

ZINC58638553

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2011 25 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) -0.90 1.09 -141.86 2 12 -2 169 373.262 5
Mid Mid (pH 6-8) -0.90 -0.08 -51.69 3 12 -1 166 374.27 5

Activity (Go SEA)

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