UCSF

ZINC37098870

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 14 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) 1.40 5.23 -45.78 3 3 1 44 194.302 4
Hi High (pH 8-9.5) 1.40 5.02 -3.8 2 3 0 42 193.294 4
Mid Mid (pH 6-8) 1.40 5.1 -98.74 4 3 2 45 195.31 4

Activity (Go SEA)

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