UCSF

ZINC35515049

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 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) 6.38 14.75 -14.34 0 6 0 73 468.553 6
Lo Low (pH 4.5-6) 6.38 15.21 -31.21 1 6 1 74 469.561 6

Activity (Go SEA)

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