UCSF

ZINC43430299

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 0.93 4.17 -36.34 3 5 0 86 267.325 6
Hi High (pH 8-9.5) 0.93 5.1 -47.83 2 5 -1 89 266.317 6

Activity (Go SEA)

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