UCSF

ZINC03945069

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 23 No

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) 4.31 8.48 -41.81 0 4 -1 73 300.341 3
Mid Mid (pH 6-8) 4.31 0.12 -16.26 1 4 0 69 301.349 3

Activity (Go SEA)

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