UCSF

ZINC21001622

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 23 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) 4.54 9.66 -16.09 1 4 0 51 326.421 4
Hi High (pH 8-9.5) 4.73 8.58 -46.34 0 4 -1 58 325.413 4

Activity (Go SEA)

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