UCSF

ZINC08383838

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2006 38 No

Other Names:

MFCD04088657

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) 3.44 10.16 -62.14 0 9 -1 107 524.59 12
Mid Mid (pH 6-8) 3.89 -0.79 -31.31 1 9 0 103 525.598 11
Mid Mid (pH 6-8) 2.86 -0.52 -28.13 0 9 0 100 525.598 12

Activity (Go SEA)

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