UCSF

ZINC57211604

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 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) 4.63 11.48 -24.61 2 4 1 42 386.519 7
Mid Mid (pH 6-8) 4.63 12.68 -95.94 3 4 2 43 387.527 7
Mid Mid (pH 6-8) 4.63 11.02 -10.88 1 4 0 41 385.511 7

Activity (Go SEA)

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