UCSF

ZINC39908377

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 7.19 14.95 -13.06 0 4 0 36 455.385 9
Lo Low (pH 4.5-6) 7.19 15.61 -36.54 1 4 1 38 456.393 9

Activity (Go SEA)

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