UCSF

ZINC36828841

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 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) 1.62 3.98 -14.3 1 5 0 70 292.36 5
Hi High (pH 8-9.5) 2.08 2.08 -47.03 0 5 -1 73 291.352 5

Activity (Go SEA)

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