UCSF

ZINC45700392

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 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) 0.71 4.65 -96.37 4 5 2 60 304.475 12
Hi High (pH 8-9.5) 0.71 3.3 -36.95 3 5 1 55 303.467 12

Activity (Go SEA)

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