UCSF

ZINC42463360

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 0.70 3.71 -46.61 3 4 1 53 222.312 4
Hi High (pH 8-9.5) 0.70 3.31 -5.23 2 4 0 51 221.304 4
Mid Mid (pH 6-8) 0.70 4.05 -101.59 4 4 2 54 223.32 4

Activity (Go SEA)

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