UCSF

ZINC27269206

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2009 21 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) 2.88 8.81 -9.57 0 3 0 33 321.207 2
Lo Low (pH 4.5-6) 2.88 9.27 -35.99 1 3 1 34 322.215 2

Activity (Go SEA)

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