UCSF

ZINC04196604

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 29 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) 1.73 7.13 -29.62 2 9 0 111 432.531 9
Hi High (pH 8-9.5) 1.92 5.91 -62.82 1 9 -1 117 431.523 9

Activity (Go SEA)

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