UCSF

ZINC19938566

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 30 No

Other Names:

MFCD03501498

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) 4.00 11.41 -64.04 1 5 0 65 430.907 8
Hi High (pH 8-9.5) 4.00 9.21 -52.79 0 5 -1 64 429.899 8
Lo Low (pH 4.5-6) 4.00 10.59 -48.3 2 5 1 62 431.915 8

Activity (Go SEA)

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