UCSF

ZINC19873087

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 28 No

Other Names:

MFCD03271126

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) 4.53 7.07 -10.06 1 7 0 82 400.456 6
Ref Reference (pH 7) 4.53 6.66 -9.79 1 7 0 82 400.456 6
Lo Low (pH 4.5-6) 4.04 6.53 -39.53 0 7 -1 81 399.448 7

Activity (Go SEA)

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