UCSF

ZINC36125868

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 22 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) 2.66 4.85 -10.03 0 4 0 41 334.466 2
Lo Low (pH 4.5-6) 2.66 7 -44.14 1 4 1 42 335.474 2

Activity (Go SEA)

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