UCSF

ZINC08438997

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 36 Yes

Other Names:

MFCD03082592

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) 5.27 1.56 -14.54 0 7 0 82 497.576 7
Lo Low (pH 4.5-6) 5.27 1.66 -56.09 1 7 1 84 498.584 7

Activity (Go SEA)

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