UCSF

ZINC10157331

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2007 19 Yes

Other Names:

MFCD09749464

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) 2.94 7.98 -13 1 3 0 38 254.264 2
Ref Reference (pH 7) 3.16 8.24 -10.48 0 3 0 33 254.264 2
Mid Mid (pH 6-8) 3.40 6.12 -8.94 1 3 0 38 254.264 2

Activity (Go SEA)

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