UCSF

ZINC38482229

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2010 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) -3.59 -10.73 -49.22 8 6 1 129 194.207 1
Hi High (pH 8-9.5) -3.59 -11.06 -7.88 7 6 0 127 193.199 1

Activity (Go SEA)

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