UCSF

ZINC36237544

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 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) 4.60 10.36 -57.09 0 4 -1 57 325.775 2
Mid Mid (pH 6-8) 4.60 10.82 -44.43 1 4 0 59 326.783 2

Activity (Go SEA)

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