UCSF

ZINC36877078

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 20 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) 0.36 4.13 -52.69 4 5 1 75 276.36 5
Hi High (pH 8-9.5) 0.36 4.17 -10.05 3 5 0 73 275.352 5
Lo Low (pH 4.5-6) 0.36 4.03 -114.05 5 5 2 76 277.368 5

Activity (Go SEA)

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