UCSF

ZINC06332339

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2006 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) 3.17 5.56 -20.47 3 5 0 70 369.899 6
Mid Mid (pH 6-8) 3.17 5.68 -60.97 2 5 -1 72 368.891 6

Activity (Go SEA)

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