UCSF

ZINC00309625

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 24 No

Other Names:

MFCD01038816

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) 2.54 8.45 -12.79 1 6 0 61 343.408 5
Mid Mid (pH 6-8) 3.27 8.53 -49.27 0 6 -1 58 342.4 5

Activity (Go SEA)

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