UCSF

ZINC25853757

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2009 26 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) 1.93 8.76 -17.24 0 5 0 44 373.522 3
Lo Low (pH 4.5-6) 1.93 10.97 -56.63 1 5 1 45 374.53 3

Activity (Go SEA)

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