UCSF

ZINC37096952

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 2.14 7.35 -120.93 4 2 2 32 238.35 6
Mid Mid (pH 6-8) 2.14 4.87 -50.15 3 2 1 31 237.342 6
Mid Mid (pH 6-8) 2.14 7.27 -31.86 3 2 1 30 237.342 6

Activity (Go SEA)

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