UCSF

ZINC12462718

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 24 No

Other Names:

MFCD01305600

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) 6.58 10.65 -7.61 1 3 0 45 336.46 3
Ref Reference (pH 7) 6.58 11.08 -7.81 1 3 0 45 336.46 3
Mid Mid (pH 6-8) 6.09 10.66 -42.83 0 3 -1 44 335.452 4

Activity (Go SEA)

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