UCSF

ZINC19922126

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 19 Yes

Other Names:

MFCD12552385

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) 2.47 4.82 -10.73 2 4 0 65 254.289 4
Hi High (pH 8-9.5) 2.47 5.57 -44 1 4 -1 68 253.281 4

Activity (Go SEA)

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