UCSF

ZINC04321299

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2005 23 No

Other Names:

MFCD01044527

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) 4.62 -0.84 -8.57 1 4 0 50 363.273 4
Lo Low (pH 4.5-6) 4.62 -0.73 -38.17 2 4 1 51 364.281 4

Activity (Go SEA)

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