UCSF

ZINC43480046

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 16 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) 2.12 4.08 -50.82 3 4 1 63 244.698 6
Hi High (pH 8-9.5) 2.12 3.49 -46.38 1 4 -1 61 242.682 6
Mid Mid (pH 6-8) 2.12 2.72 -8.67 2 4 0 59 243.69 6

Activity (Go SEA)

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