UCSF

ZINC37029551

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 1.92 5.57 -55.97 4 6 1 103 272.284 4
Hi High (pH 8-9.5) 1.92 5.17 -9.72 3 6 0 101 271.276 4

Activity (Go SEA)

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