UCSF

ZINC44264796

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 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) 2.58 6.31 -28.69 2 3 1 43 190.27 3
Mid Mid (pH 6-8) 2.58 5.88 -8.14 1 3 0 42 189.262 3

Activity (Go SEA)

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