UCSF

ZINC43395480

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 16 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) -0.64 2.11 -102.84 5 4 2 65 223.32 2
Hi High (pH 8-9.5) -0.64 1.34 -7.35 3 4 0 62 221.304 2
Hi High (pH 8-9.5) -0.64 1.69 -26.53 4 4 1 64 222.312 2
Mid Mid (pH 6-8) -0.64 1.66 -52.47 4 4 1 64 222.312 2

Activity (Go SEA)

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