UCSF

ZINC00631142

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 29 Yes

Other Names:

MFCD04153927

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) 4.17 -3.47 -17.9 2 6 0 84 414.458 7
Hi High (pH 8-9.5) 4.17 -2.89 -45.37 1 6 -1 86 413.45 7

Activity (Go SEA)

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