UCSF

ZINC70200885

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2011 20 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) 1.47 6.55 -58.09 1 7 -1 99 285.32 8
Lo Low (pH 4.5-6) 1.47 4.57 -20.69 2 7 0 96 286.328 8

Activity (Go SEA)

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