UCSF

ZINC36929490

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 0.63 -1.45 -57.71 4 5 1 83 265.38 7
Hi High (pH 8-9.5) 0.63 -1.86 -9.96 3 5 0 81 264.372 7

Activity (Go SEA)

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