UCSF

ZINC71149482

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2011 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) 0.59 2.93 -48.33 3 5 1 56 316.223 4
Hi High (pH 8-9.5) 0.59 1.58 -11.52 2 5 0 51 315.215 4

Activity (Go SEA)

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