UCSF

ZINC37052316

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 13 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) -1.20 1.91 -5.29 2 3 0 46 180.182 0
Mid Mid (pH 6-8) -1.20 2.22 -48.75 3 3 1 48 181.19 0
Mid Mid (pH 6-8) -1.20 2.23 -48.76 3 3 1 48 181.19 0

Activity (Go SEA)

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