UCSF

ZINC41420595

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 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) 0.25 4.21 -18.24 0 6 0 59 304.346 3
Lo Low (pH 4.5-6) 0.25 6.29 -53.47 1 6 1 60 305.354 3

Activity (Go SEA)

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