UCSF

ZINC03096113

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 21 No

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) 4.70 8.36 -52.4 0 3 -1 52 276.315 2
Ref Reference (pH 7) 3.23 8.72 -8.24 0 3 0 47 277.323 2
Ref Reference (pH 7) 4.70 7.93 -50.87 0 3 -1 52 276.315 2
Mid Mid (pH 6-8) 4.70 7.5 -9 1 3 0 50 277.323 2
Mid Mid (pH 6-8) 4.70 7.06 -9.24 1 3 0 50 277.323 2

Activity (Go SEA)

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