UCSF

ZINC19938344

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 36 No

Other Names:

MFCD03302429

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) 3.62 10.77 -70.71 1 8 0 93 496.604 12
Hi High (pH 8-9.5) 3.62 8.49 -59.19 0 8 -1 91 495.596 12
Lo Low (pH 4.5-6) 3.62 9.96 -52.46 2 8 1 90 497.612 12

Activity (Go SEA)

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