UCSF

ZINC31719013

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2009 28 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) 3.67 5.19 -17.99 2 7 0 84 382.464 8
Mid Mid (pH 6-8) 3.67 5.63 -49.92 3 7 1 85 383.472 8

Activity (Go SEA)

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