UCSF

ZINC34866868

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 30 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) 5.88 13.2 -46.42 2 3 1 34 421.596 7
Hi High (pH 8-9.5) 5.88 10.98 -9.37 1 3 0 32 420.588 7

Activity (Go SEA)

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