UCSF

ZINC00477827

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 24 No

Other Names:

MFCD03863130

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) 2.81 -2.08 -8.54 3 6 0 96 324.384 4
Ref Reference (pH 7) 2.81 2.96 -9.29 3 6 0 97 324.384 4
Lo Low (pH 4.5-6) 2.81 3.89 -54.09 4 6 1 99 325.392 4

Activity (Go SEA)

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