UCSF

ZINC38478121

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2010 19 Yes

Other Names:

MFCD16652814

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) 0.72 3.04 -46.01 2 6 -1 98 265.22 4
Hi High (pH 8-9.5) 1.18 1.97 -119.25 1 6 -2 101 264.212 4

Activity (Go SEA)

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