UCSF

ZINC36785206

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 15 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) 1.81 6.21 -115.97 4 2 2 32 212.381 3
Hi High (pH 8-9.5) 1.81 4.31 -38.92 3 2 1 31 211.373 3
Hi High (pH 8-9.5) 1.81 5.83 -27.09 3 2 1 30 211.373 3

Activity (Go SEA)

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