UCSF

ZINC45694591

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 19 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) 0.74 6.85 -46.03 0 6 -1 87 272.321 8
Lo Low (pH 4.5-6) 0.74 5.09 -9.78 1 6 0 84 273.329 8

Activity (Go SEA)

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