UCSF

ZINC27229184

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2009 24 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) 6.75 10.93 -7.42 1 3 0 45 399.313 3
Ref Reference (pH 7) 6.75 10.51 -7.11 1 3 0 45 399.313 3
Mid Mid (pH 6-8) 6.26 10.84 -15.64 1 3 0 42 399.313 4

Activity (Go SEA)

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