UCSF

ZINC42456785

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 12 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) 0.16 1.17 -102.9 5 3 2 52 176.304 6
Hi High (pH 8-9.5) 0.16 1.7 -45.08 4 3 1 55 175.296 6
Mid Mid (pH 6-8) 0.16 0.7 -34.4 4 3 1 51 175.296 6

Activity (Go SEA)

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