UCSF

ZINC38478122

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2010 20 Yes

Other Names:

MFCD16652815

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) 1.43 4.58 -43.93 2 6 -1 98 275.284 4
Hi High (pH 8-9.5) 1.89 3.27 -120.07 1 6 -2 101 274.276 4

Activity (Go SEA)

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