UCSF

ZINC37268658

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 19 No

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) 0.02 1.08 -60.92 6 6 1 103 281.361 6
Hi High (pH 8-9.5) 0.02 -1.13 -33.91 5 6 0 101 280.353 6

Activity (Go SEA)

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