UCSF

ZINC35721236

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 21 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) 2.70 9.93 -57.63 1 4 -1 69 290.383 6
Lo Low (pH 4.5-6) 2.70 7.58 -7.01 2 4 0 66 291.391 6

Activity (Go SEA)

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