UCSF

ZINC25539718

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 32 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) 2.15 5.83 -50.67 4 7 1 94 464.39 7
Hi High (pH 8-9.5) 2.15 3.63 -18.31 3 7 0 93 463.382 7

Activity (Go SEA)

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