UCSF

ZINC35141890

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 14 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) -1.19 1.07 -36.31 3 5 1 60 197.262 5
Hi High (pH 8-9.5) -1.19 0.61 -13.54 2 5 0 59 196.254 5
Mid Mid (pH 6-8) -1.19 2.43 -116.51 4 5 2 65 198.27 5
Mid Mid (pH 6-8) -1.19 1.97 -52.18 3 5 1 64 197.262 5

Activity (Go SEA)

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