UCSF

ZINC36998634

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 19 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) 0.90 -0.26 -16.45 4 6 0 93 280.715 5
Hi High (pH 8-9.5) 0.90 0.5 -48.69 3 6 -1 96 279.707 5

Activity (Go SEA)

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