UCSF

ZINC34678564

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 33 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) 0.80 8.91 -55.66 2 9 1 92 453.567 7
Hi High (pH 8-9.5) 0.98 6.38 -55.71 1 9 0 98 452.559 7

Activity (Go SEA)

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