UCSF

ZINC19951180

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 16 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) 3.48 5.16 -6.04 3 3 0 51 213.284 2
Mid Mid (pH 6-8) 3.48 5.61 -30.6 4 3 1 52 214.292 2

Activity (Go SEA)

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