UCSF

ZINC35521266

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 36 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) 3.34 14.41 -58.84 1 10 0 128 491.548 9
Lo Low (pH 4.5-6) 3.34 13.61 -47.71 2 10 1 125 492.556 9

Activity (Go SEA)

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