UCSF

ZINC00721230

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 30 No

Other Names:

MFCD02158973

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) 4.90 1.82 -13.57 1 4 0 57 395.458 5
Mid Mid (pH 6-8) 4.31 1.6 -21.98 0 4 0 54 395.458 5
Mid Mid (pH 6-8) 4.90 1.78 -22.14 1 4 0 57 395.458 4

Activity (Go SEA)

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