UCSF

ZINC45699713

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) 1.20 5.64 -95.38 4 4 2 51 274.449 12
Hi High (pH 8-9.5) 1.20 4.22 -34.62 3 4 1 46 273.441 12

Activity (Go SEA)

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