UCSF

ZINC19795687

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 13 Yes

Other Names:

MFCD08667751

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) 1.38 2.78 -42.41 3 2 1 31 199.343 5
Hi High (pH 8-9.5) 1.38 2.09 -1.91 2 2 0 29 198.335 5
Mid Mid (pH 6-8) 1.38 4.87 -26 3 2 1 30 199.343 5

Activity (Go SEA)

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