UCSF

ZINC44510404

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 19 No

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) 1.65 6.93 -43.55 0 5 -1 53 275.357 4
Mid Mid (pH 6-8) 0.92 6.91 -8.86 1 5 0 56 276.365 4

Activity (Go SEA)

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