UCSF

ZINC20980523

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 20 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) 3.40 8.78 -10.99 2 3 0 44 265.36 4
Mid Mid (pH 6-8) 3.40 9.18 -31.09 3 3 1 45 266.368 4

Activity (Go SEA)

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