UCSF

ZINC37015774

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 1.01 3.24 -43.18 5 6 1 110 276.316 3
Mid Mid (pH 6-8) 1.01 2.91 -12.86 4 6 0 108 275.308 3

Activity (Go SEA)

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