UCSF

ZINC36646072

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 17 No

Other Names:

MFCD15782550

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) 3.44 8.33 -25.15 1 2 0 29 278.789 1
Mid Mid (pH 6-8) 4.17 7.87 -40 0 2 -1 26 277.781 1

Activity (Go SEA)

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