UCSF

ZINC34831677

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 35 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) 3.43 14.18 -19.07 0 7 0 87 458.525 7
Lo Low (pH 4.5-6) 3.43 14.65 -60.16 1 7 1 88 459.533 7

Activity (Go SEA)

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