UCSF

ZINC33809855

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 1.77 7.21 -18.03 1 5 0 79 306.778 4
Mid Mid (pH 6-8) 1.84 6.3 -41.57 0 5 -1 85 305.77 4

Activity (Go SEA)

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