UCSF

ZINC20520388

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 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) 5.05 8.48 -33.83 2 2 1 20 257.486 11
Hi High (pH 8-9.5) 5.05 10.19 -32 2 2 1 16 257.486 11
Mid Mid (pH 6-8) 5.05 10.63 -119.05 3 2 2 21 258.494 11

Activity (Go SEA)

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