UCSF

ZINC13576719

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 32 No

Other Names:

MFCD01026712

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) 6.85 13.35 -10.85 0 5 0 53 444.556 7
Ref Reference (pH 7) 6.85 12.11 -9.35 0 5 0 53 444.556 7
Lo Low (pH 4.5-6) 6.85 13.56 -27.13 1 5 1 54 445.564 7
Lo Low (pH 4.5-6) 6.85 12.53 -27.9 1 5 1 54 445.564 7

Activity (Go SEA)

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