UCSF

ZINC34925968

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 11 Yes

Other Names:

MFCD14586481

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) 0.64 2.59 -50.25 3 3 1 45 266.106 2
Hi High (pH 8-9.5) 0.64 2.19 -5.47 2 3 0 44 265.098 2

Activity (Go SEA)

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