UCSF

ZINC45623290

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 16 No

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) 0.63 2.31 -52.73 4 6 1 103 289.109 4
Hi High (pH 8-9.5) 0.63 1.92 -8.11 3 6 0 101 288.101 4

Activity (Go SEA)

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