UCSF

ZINC58000116

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 29 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) 2.20 3.48 -14.31 1 8 0 100 418.45 5
Mid Mid (pH 6-8) 2.65 1.63 -50.04 0 8 -1 103 417.442 5

Activity (Go SEA)

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