UCSF

ZINC01081555

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 19 Yes

Other Names:

MFCD04039956

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) 3.61 7.13 -11.72 1 3 0 50 252.269 1
Hi High (pH 8-9.5) 3.61 7.92 -42.66 0 3 -1 53 251.261 1

Activity (Go SEA)

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