UCSF

ZINC13281672

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 10 Yes

Other Names:

MFCD06410821

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) -1.26 -1.8 -8.27 5 5 0 98 140.146 1
Mid Mid (pH 6-8) -1.26 -1.49 -27.73 6 5 1 99 141.154 1
Mid Mid (pH 6-8) -1.26 -5.22 -28.99 6 5 1 99 141.154 1

Activity (Go SEA)

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