UCSF

ZINC15115426

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2008 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) 3.70 10.71 -6.66 0 3 0 24 326.415 4
Mid Mid (pH 6-8) 3.70 12.6 -38.19 1 3 1 25 327.423 4

Activity (Go SEA)

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