UCSF

ZINC01390087

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2005 17 Yes

Other Names:

MFCD02661739

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) 0.78 4.02 -57.71 2 6 -1 97 231.235 2
Mid Mid (pH 6-8) 0.78 4.08 -60.86 3 6 0 98 232.243 2

Activity (Go SEA)

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