UCSF

ZINC21157422

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2008 27 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) 3.99 6.93 -42.67 1 5 0 56 428.385 7
Hi High (pH 8-9.5) 3.99 4.96 -13.16 1 5 0 53 428.385 7

Activity (Go SEA)

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