UCSF

ZINC58014431

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2011 22 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) 1.90 1.88 -11.31 3 4 0 62 309.312 6
Mid Mid (pH 6-8) 1.90 3.26 -58.83 4 4 1 66 310.32 6

Activity (Go SEA)

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