UCSF

ZINC08986390

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 35 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) 5.54 1.36 -15.05 0 7 0 82 485.565 6
Lo Low (pH 4.5-6) 5.54 1.47 -53.71 1 7 1 84 486.573 6

Activity (Go SEA)

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