UCSF

ZINC00336833

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 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) -0.32 -0.09 -12.25 4 7 0 110 237.263 5
Lo Low (pH 4.5-6) -0.32 0.17 -38.57 5 7 1 111 238.271 5
Lo Low (pH 4.5-6) -0.32 -4.2 -36.15 5 7 1 111 238.271 5

Activity (Go SEA)

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