UCSF

ZINC42435036

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 16 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) 0.03 2.27 -54.88 1 6 -1 89 222.224 3
Mid Mid (pH 6-8) 0.03 2.59 -37.82 2 6 0 91 223.232 3

Activity (Go SEA)

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