UCSF

ZINC31158010

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2009 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) 1.73 3.79 -59.4 5 7 1 106 381.762 6
Mid Mid (pH 6-8) 1.73 1.66 -27.89 4 7 0 105 380.754 6

Activity (Go SEA)

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