UCSF

ZINC17161270

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 30 No

Other Names:

MFCD02229745

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) 2.42 7.07 -57.94 0 6 -1 73 409.437 6
Mid Mid (pH 6-8) 2.42 9.4 -75.81 1 6 0 74 410.445 6
Lo Low (pH 4.5-6) 2.42 8.58 -58.77 2 6 1 71 411.453 6

Activity (Go SEA)

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