UCSF

ZINC13556264

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 20 No

Other Names:

MFCD00129476

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) 3.45 7.83 -39.5 0 3 -1 52 266.251 2
Lo Low (pH 4.5-6) 2.89 8.08 -9.04 1 3 0 48 268.267 2
Lo Low (pH 4.5-6) 2.93 8.16 -9.07 1 3 0 46 267.259 2

Activity (Go SEA)

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