UCSF

ZINC45663784

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) 2.27 5.52 -113.5 4 3 2 35 336.343 8
Hi High (pH 8-9.5) 2.27 5.24 -35.27 3 3 1 34 335.335 8
Hi High (pH 8-9.5) 2.27 3.05 -47.88 3 3 1 34 335.335 8

Activity (Go SEA)

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