UCSF

ZINC36983969

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 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) 0.72 2.81 -92.57 0 8 -2 123 313.316 6
Lo Low (pH 4.5-6) 0.72 2.75 -53.06 1 8 -1 121 314.324 6

Activity (Go SEA)

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