UCSF

ZINC36231715

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 18 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) -1.75 -2.61 -43.62 3 6 1 64 257.358 4
Hi High (pH 8-9.5) -1.75 -3.97 -9.58 2 6 0 59 256.35 4
Lo Low (pH 4.5-6) -1.75 -0.32 -87.3 4 6 2 65 258.366 4

Activity (Go SEA)

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