UCSF

ZINC00199433

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 24 Yes

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) 2.38 0.66 -11.77 2 6 0 85 335.4 5
Mid Mid (pH 6-8) 2.38 1.88 -26.54 3 6 1 86 336.408 5

Activity (Go SEA)

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