UCSF

ZINC36633984

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 27 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) 2.70 9.04 -14.61 0 5 0 44 387.842 3
Mid Mid (pH 6-8) 2.70 11.47 -47.42 1 5 1 45 388.85 3

Activity (Go SEA)

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