UCSF

ZINC36125836

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.25 8.85 -7.6 0 4 0 33 322.408 3
Mid Mid (pH 6-8) 3.25 10.99 -42.39 1 4 1 34 323.416 3

Activity (Go SEA)

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