UCSF

ZINC31775983

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 14 Yes

Other Names:

MFCD03002488

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) -0.82 3.21 -52.28 3 3 0 68 201.172 3
Hi High (pH 8-9.5) -0.82 2.97 -47.29 2 3 -1 66 200.164 3

Activity (Go SEA)

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