UCSF

ZINC34950062

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) 3.68 8.23 -12.21 1 7 0 63 427.545 10
Mid Mid (pH 6-8) 3.68 10.5 -43.78 2 7 1 64 428.553 10

Activity (Go SEA)

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