UCSF

ZINC67967550

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 20 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) 2.77 6.32 -107.38 4 3 2 41 317.26 2
Hi High (pH 8-9.5) 2.77 3.79 -41.94 3 3 1 40 316.252 2
Mid Mid (pH 6-8) 2.77 7.2 -77.04 3 3 1 44 316.252 2

Activity (Go SEA)

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