UCSF

ZINC17318276

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2008 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) 3.17 6.62 -56.13 2 5 1 48 420.327 6
Hi High (pH 8-9.5) 3.17 5.21 -7.76 1 5 0 43 419.319 6

Activity (Go SEA)

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