UCSF

ZINC36866688

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 16 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) 0.80 8.91 -47.27 0 6 -1 74 243.312 6
Lo Low (pH 4.5-6) 0.80 9.06 -35.04 1 6 0 75 244.32 6

Activity (Go SEA)

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