UCSF

ZINC36618464

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 27 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) 2.71 4.37 -20.56 1 8 0 99 380.385 3
Hi High (pH 8-9.5) 2.77 2.67 -39.54 0 8 -1 106 379.377 3

Activity (Go SEA)

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