UCSF

ZINC19687753

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 22 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) 1.92 5.53 -44.31 3 4 1 51 304.458 5
Hi High (pH 8-9.5) 1.92 5.2 -8.27 2 4 0 50 303.45 5
Mid Mid (pH 6-8) 1.92 7.81 -102.67 4 4 2 52 305.466 5

Activity (Go SEA)

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