UCSF

ZINC44512832

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 18 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) -0.97 -1.92 -64.74 4 7 0 117 252.274 2
Mid Mid (pH 6-8) -1.42 -1.31 -58.62 5 7 1 114 253.282 2

Activity (Go SEA)

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