UCSF

ZINC00985817

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 28 No

Other Names:

MFCD03697381

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) 3.42 4.35 -12.14 3 7 0 106 392.802 2
Lo Low (pH 4.5-6) 3.42 4.49 -59.67 4 7 1 108 393.81 2

Activity (Go SEA)

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