UCSF

ZINC01824428

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 24 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) 3.44 9.87 -14.46 0 6 0 65 319.368 3
Mid Mid (pH 6-8) 3.44 10.4 -29 2 6 1 70 320.376 3
Mid Mid (pH 6-8) 3.44 10.19 -39.66 1 6 1 67 320.376 3

Activity (Go SEA)

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