UCSF

ZINC44685752

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 20 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) 2.62 9.14 -75.94 3 3 2 21 281.488 6
Hi High (pH 8-9.5) 2.62 6.76 -32.48 2 3 1 20 280.48 6

Activity (Go SEA)

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