UCSF

ZINC13424377

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 23 Yes

Other Names:

MFCD02232288

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) 4.66 9.45 -32.7 2 2 1 25 310.461 2
Mid Mid (pH 6-8) 4.66 7.53 -2.36 1 2 0 23 309.453 2

Activity (Go SEA)

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