UCSF

ZINC04104997

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 17 Yes

Other Names:

MFCD05669057

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) 2.01 0.58 -50.18 1 4 -1 69 236.222 3

Activity (Go SEA)

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