UCSF

ZINC37028374

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 16 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) 0.58 0.94 -44.93 4 4 1 66 239.32 3
Mid Mid (pH 6-8) 0.58 -0.26 -13.91 3 4 0 61 238.312 3

Activity (Go SEA)

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