UCSF

ZINC13717858

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 14 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) 0.67 2.47 -46 3 3 1 50 195.286 7
Lo Low (pH 4.5-6) 0.67 2.75 -104.92 4 3 2 51 196.294 7

Activity (Go SEA)

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