UCSF

ZINC34538364

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 17 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) 5.00 7.93 -7.12 1 3 0 47 236.311 7
Hi High (pH 8-9.5) 5.00 8.93 -50.75 0 3 -1 49 235.303 7

Activity (Go SEA)

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