UCSF

ZINC34992400

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 19 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) 3.08 8.59 -39.63 2 2 1 26 319.222 3
Mid Mid (pH 6-8) 3.08 7.61 -4.5 1 2 0 21 318.214 3

Activity (Go SEA)

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