UCSF

ZINC44236492

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 11 No

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) 1.00 2.91 -48.29 3 2 1 45 150.201 3
Hi High (pH 8-9.5) 1.00 2.53 -6.17 2 2 0 43 149.193 3

Activity (Go SEA)

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