UCSF

ZINC37054342

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 0.82 0.31 -54.75 2 6 -1 96 284.342 4
Mid Mid (pH 6-8) 1.75 0.86 -18.24 3 6 0 98 285.35 3

Activity (Go SEA)

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