UCSF

ZINC04168161

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 34 No

Other Names:

MFCD01971741

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) 2.57 2.98 -13.36 3 10 0 134 464.478 7
Lo Low (pH 4.5-6) 2.57 2.78 -51.53 4 10 1 136 465.486 7

Activity (Go SEA)

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