UCSF

ZINC35894184

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 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) 4.84 13.17 -48.7 2 4 1 37 406.594 7
Mid Mid (pH 6-8) 4.84 10.95 -10.97 1 4 0 36 405.586 7

Activity (Go SEA)

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