UCSF

ZINC45685575

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 0.49 4.34 -58.06 4 6 1 95 281.332 10
Hi High (pH 8-9.5) 0.49 2.99 -15.12 3 6 0 91 280.324 10

Activity (Go SEA)

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