UCSF

ZINC35641117

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 29 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) 2.72 8.72 -43.28 2 8 1 76 403.503 7
Mid Mid (pH 6-8) 2.72 6.36 -10.3 1 8 0 74 402.495 7

Activity (Go SEA)

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