UCSF

ZINC13122466

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 14 No

Other Names:

MFCD02187108

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) 2.34 2.24 -40.96 0 3 -1 39 203.246 2
Mid Mid (pH 6-8) 1.61 2.78 -8.3 1 3 0 42 204.254 2

Activity (Go SEA)

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