UCSF

ZINC38478094

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2010 16 Yes

Other Names:

MFCD16069793

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) 2.36 6.1 -14.23 1 3 0 57 210.236 1
Mid Mid (pH 6-8) 2.82 4.39 -46.55 0 3 -1 60 209.228 1

Activity (Go SEA)

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