UCSF

ZINC08742454

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 33 No

Other Names:

MFCD03301141

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) 5.15 11.15 -63.28 0 6 -1 79 450.555 11
Lo Low (pH 4.5-6) 5.15 10.33 -16.12 1 6 0 76 451.563 11

Activity (Go SEA)

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