UCSF

ZINC45650696

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 18 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) 0.94 4.14 -45.18 2 4 1 40 254.398 5
Hi High (pH 8-9.5) 0.94 5.39 -35.89 2 4 1 37 254.398 5
Hi High (pH 8-9.5) 0.94 2.96 -7.55 1 4 0 36 253.39 5

Activity (Go SEA)

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