UCSF

ZINC32115850

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 18 No

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) 2.50 8.49 -50.18 1 3 1 31 268.764 5
Mid Mid (pH 6-8) 2.50 6.22 -8.26 0 3 0 30 267.756 5

Activity (Go SEA)

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