UCSF

ZINC08828851

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 16 Yes

Other Names:

MFCD05680554

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) 2.07 1.15 -27.82 3 4 1 68 220.248 3
Hi High (pH 8-9.5) 1.44 3.14 -14.6 2 4 0 62 219.24 4

Activity (Go SEA)

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