UCSF

ZINC02921514

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 36 Yes

Other Names:

MFCD01142550

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) 8.50 -0.43 -11.41 2 3 0 48 464.568 5
Mid Mid (pH 6-8) 8.50 -0.23 -35.1 3 3 1 50 465.576 5

Activity (Go SEA)

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