UCSF

ZINC44815929

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.98 6.11 -13.09 1 5 0 72 266.256 3
Lo Low (pH 4.5-6) 1.98 6.58 -44.51 2 5 1 73 267.264 3

Activity (Go SEA)

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