UCSF

ZINC08979666

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 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) 1.86 -3.74 -13.34 2 6 0 83 378.457 5
Lo Low (pH 4.5-6) 1.86 -3.63 -47.25 3 6 1 85 379.465 5

Activity (Go SEA)

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