UCSF

ZINC72309984

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2012 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) 2.26 11.4 -47.06 1 5 1 43 349.458 6
Hi High (pH 8-9.5) 2.26 8.91 -14.3 0 5 0 41 348.45 6

Activity (Go SEA)

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