UCSF

ZINC20266061

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 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) 1.28 5.43 -95.56 4 4 2 48 284.407 4
Mid Mid (pH 6-8) 1.28 3.11 -48.04 3 4 1 47 283.399 4

Activity (Go SEA)

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