UCSF

ZINC36922307

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 21 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) 4.72 6.75 -8.03 2 3 0 56 300.789 4
Hi High (pH 8-9.5) 4.72 7.51 -39.53 1 3 -1 59 299.781 4

Activity (Go SEA)

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