UCSF

ZINC48302659

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 22 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 10.26 -35.03 2 5 1 55 312.422 3
Hi High (pH 8-9.5) 2.62 9.92 -9.23 1 5 0 54 311.414 3

Activity (Go SEA)

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