UCSF

ZINC41664635

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 29 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) 3.96 9.2 -15.66 0 5 0 56 384.435 3
Mid Mid (pH 6-8) 3.96 9.94 -42.15 1 5 1 57 385.443 3

Activity (Go SEA)

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