UCSF

ZINC06729486

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2006 26 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.33 -3.23 -14.17 1 7 0 90 373.434 3
Hi High (pH 8-9.5) 2.33 -2.65 -47.08 0 7 -1 92 372.426 3

Activity (Go SEA)

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