UCSF

ZINC37136459

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 21 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) 1.50 0.85 -15.19 5 6 0 96 282.303 3
Lo Low (pH 4.5-6) 1.50 1.18 -46.66 6 6 1 101 283.311 3

Activity (Go SEA)

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