UCSF

ZINC25463980

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 31 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) 2.81 6.95 -24.19 2 8 0 102 440.525 5
Hi High (pH 8-9.5) 2.81 7.02 -59.15 1 8 -1 104 439.517 5

Activity (Go SEA)

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