UCSF

ZINC42442115

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) -0.16 1.85 -43.66 5 5 1 87 237.327 6
Lo Low (pH 4.5-6) -0.16 2.33 -95.83 6 5 2 88 238.335 6

Activity (Go SEA)

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