UCSF

ZINC25804878

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 34 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) 3.71 11.32 -51.8 2 8 1 81 459.574 6
Mid Mid (pH 6-8) 3.71 8.95 -10.12 1 8 0 79 458.566 6

Activity (Go SEA)

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