UCSF

ZINC19898479

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 30 No

Other Names:

MFCD02229739

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) 2.70 7.24 -60.79 0 6 -1 73 405.474 6
Mid Mid (pH 6-8) 2.70 9.59 -69.25 1 6 0 74 406.482 6
Lo Low (pH 4.5-6) 2.70 8.76 -49.53 2 6 1 71 407.49 6

Activity (Go SEA)

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