UCSF

ZINC37082100

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 11 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) 0.87 3.92 -101.64 4 2 2 32 160.305 5
Hi High (pH 8-9.5) 0.87 3.61 -29.16 3 2 1 30 159.297 5
Mid Mid (pH 6-8) 0.87 1.88 -39.72 3 2 1 31 159.297 5

Activity (Go SEA)

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