UCSF

ZINC40189973

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 6.18 12.29 -8.66 1 4 0 47 377.532 6
Lo Low (pH 4.5-6) 6.18 12.84 -30.79 2 4 1 48 378.54 6

Activity (Go SEA)

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