UCSF

ZINC52129265

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2010 21 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) 0.09 4.23 -14.44 1 8 0 94 293.327 5
Mid Mid (pH 6-8) 0.09 6.42 -53.42 2 8 1 95 294.335 5

Activity (Go SEA)

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