UCSF

ZINC00091308

Substance Information

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

Other Names:

MFCD00740542

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) 4.71 10.48 -35.86 2 3 0 49 312.372 2
Mid Mid (pH 6-8) 4.91 -1.29 -29.43 3 3 1 50 313.38 3
Mid Mid (pH 6-8) 4.91 8.97 -9.71 2 3 0 49 312.372 3

Activity (Go SEA)

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