UCSF

ZINC44404611

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 21 No

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) 6.01 13.53 -47.33 0 3 -1 57 295.443 15
Lo Low (pH 4.5-6) 6.01 11.55 -8.84 1 3 0 54 296.451 15

Activity (Go SEA)

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