UCSF

ZINC34964306

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 14 No

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) 3.61 1.94 -36.18 0 3 -1 39 246.098 1
Lo Low (pH 4.5-6) 2.88 2.49 -6.17 1 3 0 42 247.106 1

Activity (Go SEA)

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