UCSF

ZINC08721094

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 23 Yes

Other Names:

MFCD03558246

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) 4.03 10.06 -19.28 1 4 0 50 301.349 2
Mid Mid (pH 6-8) 4.49 8.7 -52.43 0 4 -1 53 300.341 2

Activity (Go SEA)

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