UCSF

ZINC33310896

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2009 23 No

Other Names:

MFCD02626079

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) 1.95 8.74 -51.82 1 5 1 51 317.409 4
Hi High (pH 8-9.5) 1.95 6.51 -10.22 0 5 0 50 316.401 4

Activity (Go SEA)

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