UCSF

ZINC34918730

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 28 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) 0.95 6.32 -17.07 1 7 0 81 383.448 8
Lo Low (pH 4.5-6) 0.95 6.73 -49.61 2 7 1 82 384.456 8

Activity (Go SEA)

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