UCSF

ZINC37039935

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) -0.16 2.6 -97.12 4 4 2 45 231.384 7
Hi High (pH 8-9.5) -0.16 0.81 -42.93 3 4 1 43 230.376 7
Lo Low (pH 4.5-6) -0.16 4.66 -178.88 5 4 3 46 232.392 7

Activity (Go SEA)

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