UCSF

ZINC36254844

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 30 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) 3.75 8.81 -11.07 1 5 0 53 415.553 6
Lo Low (pH 4.5-6) 3.75 11.32 -48.44 2 5 1 54 416.561 6

Activity (Go SEA)

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