UCSF

ZINC34628593

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 18 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) 1.03 3.78 -54.48 3 5 1 72 252.29 5
Mid Mid (pH 6-8) 1.03 3.5 -8.26 2 5 0 71 251.282 5

Activity (Go SEA)

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