UCSF

ZINC45700552

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 19 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) 2.22 6.91 -93.31 4 4 2 50 273.465 11
Hi High (pH 8-9.5) 2.22 5.67 -36.14 3 4 1 46 272.457 11

Activity (Go SEA)

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