UCSF

ZINC00615471

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 25 Yes

Other Names:

MFCD05998036

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) 5.01 1.52 -10.66 0 3 0 27 332.378 5
Mid Mid (pH 6-8) 1.60 1.69 -32.56 1 3 1 28 333.386 5

Activity (Go SEA)

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