UCSF

ZINC44713011

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 13 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 1.14 4.45 -44.91 2 4 0 70 176.175 1
Mid Mid (pH 6-8) 1.14 3.99 -62.82 1 4 -1 69 175.167 1

Activity (Go SEA)

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