UCSF

ZINC19943676

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 32 No

Other Names:

MFCD01822172

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) 3.20 9.7 -68.87 1 7 0 83 438.524 10
Hi High (pH 8-9.5) 3.20 7.47 -65.34 0 7 -1 82 437.516 10
Lo Low (pH 4.5-6) 3.20 8.87 -44.82 2 7 1 81 439.532 10

Activity (Go SEA)

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