UCSF

ZINC00381868

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 24 Yes

Other Names:

MFCD03196927

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) 3.99 7.12 -18.57 1 5 0 72 342.42 3
Hi High (pH 8-9.5) 3.81 6.68 -57.02 0 5 -1 70 341.412 4

Activity (Go SEA)

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