UCSF

ZINC00944098

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 27 Yes

Other Names:

MFCD02084689

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) 4.84 8.17 -10.35 1 5 0 69 385.485 5
Hi High (pH 8-9.5) 4.84 8.31 -47.78 0 5 -1 71 384.477 5

Activity (Go SEA)

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