UCSF

ZINC36776492

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 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) 2.21 8.63 -10.91 0 4 0 46 277.327 4
Lo Low (pH 4.5-6) 2.21 9.09 -37.55 1 4 1 47 278.335 4

Activity (Go SEA)

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