UCSF

ZINC34624369

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 27 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) 3.00 8.38 -53.84 2 7 -1 108 377.461 15
Lo Low (pH 4.5-6) 3.00 6.41 -16.93 3 7 0 105 378.469 15

Activity (Go SEA)

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