UCSF

ZINC00701816

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 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) 4.12 8.62 -11.31 1 4 0 45 431.964 8
Mid Mid (pH 6-8) 4.12 10.84 -54.35 2 4 1 46 432.972 8

Activity (Go SEA)

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