UCSF

ZINC54419419

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 16 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) -0.47 0.92 -95.28 6 5 2 88 224.308 4
Hi High (pH 8-9.5) -0.47 0.11 -9.77 4 5 0 85 222.292 4
Mid Mid (pH 6-8) -0.47 0.51 -43.03 5 5 1 87 223.3 4

Activity (Go SEA)

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