UCSF

ZINC36325710

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 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) 0.20 0.31 -51.22 3 4 1 53 236.339 4
Hi High (pH 8-9.5) 0.20 -0.02 -5.19 2 4 0 51 235.331 4
Lo Low (pH 4.5-6) 0.20 0.81 -103.58 4 4 2 54 237.347 4

Activity (Go SEA)

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