UCSF

ZINC28899264

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2009 20 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) 1.40 6.62 -44.05 2 5 1 51 279.408 6
Hi High (pH 8-9.5) 1.40 4.29 -10.42 1 5 0 50 278.4 6

Activity (Go SEA)

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