UCSF

ZINC36871487

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 14 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) -0.43 3.5 -93.18 4 4 2 52 201.314 2
Hi High (pH 8-9.5) -0.43 3.15 -39.21 3 4 1 51 200.306 2

Activity (Go SEA)

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