UCSF

ZINC36204340

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 19 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) 2.16 7.81 -48.01 2 4 1 50 278.401 2
Hi High (pH 8-9.5) 2.62 5.33 -42.28 1 4 0 53 277.393 2

Activity (Go SEA)

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