UCSF

ZINC20134630

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 19 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) 1.35 3.02 -12.4 2 5 0 59 261.325 4
Lo Low (pH 4.5-6) 1.35 3.12 -36.05 3 5 1 61 262.333 4

Activity (Go SEA)

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