UCSF

ZINC36230923

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) 0.66 3.9 -87.77 4 4 2 45 257.422 5
Hi High (pH 8-9.5) 0.66 1.6 -43.44 3 4 1 43 256.414 5
Mid Mid (pH 6-8) 0.66 3.58 -103.35 4 4 2 45 257.422 5

Activity (Go SEA)

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