UCSF

ZINC50027310

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 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) -4.36 -2.44 -69.03 6 9 -1 180 246.199 7
Hi High (pH 8-9.5) -4.36 -2.75 -109.06 5 9 -2 178 245.191 7

Activity (Go SEA)

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