UCSF

ZINC04388347

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2005 25 Yes

Other Names:

MFCD02374676

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) 3.76 12.37 -47.09 1 3 1 25 335.471 3
Mid Mid (pH 6-8) 3.76 10.36 -9.6 0 3 0 24 334.463 3

Activity (Go SEA)

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