UCSF

ZINC20757998

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 28 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) 2.06 11.55 -44.8 2 4 1 37 374.508 2
Mid Mid (pH 6-8) 2.06 9.14 -7.67 1 4 0 36 373.5 2

Activity (Go SEA)

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