UCSF

ZINC70451311

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2011 21 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) 0.98 3.49 -55.37 2 7 1 77 291.331 4
Hi High (pH 8-9.5) 0.98 2.2 -10.16 1 7 0 73 290.323 4

Activity (Go SEA)

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