UCSF

ZINC34820385

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 32 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) 4.19 11.96 -63.44 1 8 -1 116 431.472 4
Hi High (pH 8-9.5) 4.65 10.78 -118.93 0 8 -2 119 430.464 4

Activity (Go SEA)

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