UCSF

ZINC36810217

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 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) 2.96 7.24 -36.91 2 3 1 37 265.421 1
Hi High (pH 8-9.5) 2.96 6.13 -5.54 1 3 0 32 264.413 1

Activity (Go SEA)

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