UCSF

ZINC36150644

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 21 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) 2.62 8.97 -43.14 1 5 1 57 292.355 7
Mid Mid (pH 6-8) 2.62 6.88 -8.63 0 5 0 56 291.347 7

Activity (Go SEA)

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