UCSF

ZINC41685276

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 19 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) 0.45 4.33 -59.4 2 7 1 90 283.333 7
Mid Mid (pH 6-8) 0.45 2.96 -18.42 1 7 0 86 282.325 7

Activity (Go SEA)

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