UCSF

ZINC34930764

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 31 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) 4.01 9.88 -16.12 1 6 0 56 461.393 4
Mid Mid (pH 6-8) 4.01 12.09 -51.11 2 6 1 57 462.401 4

Activity (Go SEA)

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