UCSF

ZINC44823432

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 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) -0.04 0.03 -9.57 1 5 0 68 225.292 4
Lo Low (pH 4.5-6) -0.04 2.34 -43.7 2 5 1 69 226.3 4

Activity (Go SEA)

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