UCSF

ZINC01804379

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2005 35 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) 0.15 10.51 -40.1 1 6 0 86 530.737 9
Mid Mid (pH 6-8) 0.15 10.05 -47.65 1 6 0 86 530.737 9

Activity (Go SEA)

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