UCSF

ZINC19471301

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 16 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) -0.28 5.2 -40.23 3 3 1 48 221.324 4
Hi High (pH 8-9.5) -0.28 4.91 -5.53 2 3 0 46 220.316 4

Activity (Go SEA)

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