UCSF

ZINC42948380

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 21 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) 3.61 7.42 -49.61 3 3 1 46 306.813 6
Hi High (pH 8-9.5) 3.61 7.41 -5.79 2 3 0 44 305.805 6

Activity (Go SEA)

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