UCSF

ZINC49581221

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 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) 2.35 6.92 -33.94 1 4 1 39 306.436 4
Hi High (pH 8-9.5) 2.35 6.52 -10.88 0 4 0 38 305.428 4

Activity (Go SEA)

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