UCSF

ZINC18093592

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2008 22 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) 0.73 4.1 -9.88 0 6 0 53 303.362 3
Ref Reference (pH 7) 0.73 4.32 -10.07 0 6 0 53 303.362 3
Mid Mid (pH 6-8) 0.73 6.48 -46.96 1 6 1 54 304.37 3

Activity (Go SEA)

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