UCSF

ZINC00721228

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 1.84 -13.47 1 4 0 57 395.458 5
Mid Mid (pH 6-8) 4.31 1.62 -21.93 0 4 0 54 395.458 5
Mid Mid (pH 6-8) 4.90 1.81 -22.07 1 4 0 57 395.458 4

Activity (Go SEA)

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