UCSF

ZINC37098504

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 Yes

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) 1.71 5.2 -7.94 1 3 0 32 232.327 3
Lo Low (pH 4.5-6) 1.71 6.39 -38.02 2 3 1 37 233.335 3

Activity (Go SEA)

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