UCSF

ZINC37957794

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) 3.12 8.44 -35.75 2 4 1 52 292.399 7
Mid Mid (pH 6-8) 3.12 7.41 -8.76 1 4 0 48 291.391 7

Activity (Go SEA)

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