UCSF

ZINC34834184

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 31 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) 3.55 6.39 -19.39 2 9 0 112 442.497 8
Hi High (pH 8-9.5) 3.73 4.52 -49.74 1 9 -1 118 441.489 8

Activity (Go SEA)

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