UCSF

ZINC19808833

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 28 No

Other Names:

MFCD03301048

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) 2.99 9.91 -11.35 0 5 0 44 381.451 4
Mid Mid (pH 6-8) 2.99 12.06 -47.09 1 5 1 45 382.459 4

Activity (Go SEA)

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