UCSF

ZINC36136153

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 15 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) -0.78 2.64 -47.85 3 4 1 61 206.269 2
Hi High (pH 8-9.5) -0.78 2.23 -11.52 2 4 0 59 205.261 2
Lo Low (pH 4.5-6) -0.78 3.11 -93.75 4 4 2 62 207.277 2

Activity (Go SEA)

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