UCSF

ZINC36753896

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 20 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) 0.83 0.03 -47.64 4 6 1 86 292.388 3
Lo Low (pH 4.5-6) 0.83 2.22 -114.8 5 6 2 87 293.396 3

Activity (Go SEA)

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