UCSF

ZINC36891912

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 17 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) 0.33 3.55 -53.19 3 5 0 86 238.218 4
Mid Mid (pH 6-8) 0.33 2.3 -50.25 2 5 -1 81 237.21 4

Activity (Go SEA)

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