UCSF

ZINC36875050

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) 0.54 4.13 -50.59 3 3 1 40 289.321 4
Hi High (pH 8-9.5) 0.54 3.71 -4.3 2 3 0 38 288.313 4
Lo Low (pH 4.5-6) 0.54 6.06 -141.68 4 3 2 41 290.329 4
Lo Low (pH 4.5-6) 0.54 5.68 -38.8 3 3 1 40 289.321 4

Activity (Go SEA)

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