UCSF

ZINC34951704

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 30 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) 3.18 7.01 -13.9 1 6 0 70 429.586 6
Mid Mid (pH 6-8) 3.18 9.22 -53.38 2 6 1 71 430.594 6

Activity (Go SEA)

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