UCSF

ZINC16741350

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 31 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) 2.34 5.38 -18.09 2 7 0 96 423.465 11
Mid Mid (pH 6-8) 1.75 6.06 -25.05 1 7 0 93 423.465 11

Activity (Go SEA)

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