UCSF

ZINC45663808

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 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) 0.75 4.93 -109.98 4 4 2 48 266.433 8
Hi High (pH 8-9.5) 0.75 2.46 -41.52 3 4 1 47 265.425 8

Activity (Go SEA)

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