UCSF

ZINC28000116

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2009 17 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) 1.46 2.64 -14.1 3 6 0 82 252.299 4
Mid Mid (pH 6-8) 1.46 2.44 -55.94 4 6 1 84 253.307 4

Activity (Go SEA)

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