UCSF

ZINC00818160

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 25 Yes

Other Names:

MFCD06010980

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) 1.40 3.79 -15.51 1 7 0 89 363.439 7
Lo Low (pH 4.5-6) 1.40 4.25 -48.41 2 7 1 90 364.447 7

Activity (Go SEA)

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