UCSF

ZINC00697769

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 34 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) 0.99 8.45 -27.42 1 9 0 103 489.573 7
Hi High (pH 8-9.5) 0.81 7.37 -57.67 0 9 -1 109 488.565 7

Activity (Go SEA)

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