UCSF

ZINC27627918

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 24 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) -0.69 6.22 -107.13 3 7 0 106 332.335 3
Lo Low (pH 4.5-6) -4.25 5.27 -80.39 4 7 1 109 333.343 2

Activity (Go SEA)

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