UCSF

ZINC20478677

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 1.11 6.13 -41.47 1 5 1 43 279.36 3
Hi High (pH 8-9.5) 1.11 4.13 -9.99 0 5 0 42 278.352 3

Activity (Go SEA)

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