UCSF

ZINC25143733

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 25 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) 3.56 10.17 -27.95 1 6 0 69 421.32 5
Hi High (pH 8-9.5) 3.74 9.1 -49.61 0 6 -1 75 420.312 5

Activity (Go SEA)

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