UCSF

ZINC03581405

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 20 Yes

Other Names:

MFCD26143345

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) 5.08 -4.03 -7.29 1 3 0 46 419.138 3
Hi High (pH 8-9.5) 5.08 -3.45 -35.32 0 3 -1 48 418.13 3

Activity (Go SEA)

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