UCSF

ZINC34678560

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 35 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) 1.57 8.46 -54.61 3 9 1 101 485.584 8
Hi High (pH 8-9.5) 1.75 6.06 -45.38 2 9 0 107 484.576 8

Activity (Go SEA)

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