UCSF

ZINC00687837

Substance Information

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

Other Names:

MFCD05802763

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) 4.71 -3.59 -17.36 2 6 0 84 430.913 6
Hi High (pH 8-9.5) 4.71 -3 -52.7 1 6 -1 86 429.905 6

Activity (Go SEA)

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