UCSF

ZINC38581060

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 31 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) 2.46 5.46 -67.06 4 8 1 109 449.528 7
Hi High (pH 8-9.5) 2.46 3.33 -56.18 2 8 -1 110 447.512 7
Mid Mid (pH 6-8) 2.46 5.52 -85.58 3 8 0 111 448.52 7

Activity (Go SEA)

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