UCSF

ZINC38434578

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2010 14 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) 2.15 3.91 -9.99 2 3 0 48 188.23 2
Lo Low (pH 4.5-6) 2.15 4.4 -25.75 3 3 1 49 189.238 2

Activity (Go SEA)

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