UCSF

ZINC39383451

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 13 Yes

Other Names:

MFCD27937833

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) 0.81 0.2 -46.14 4 3 1 61 175.211 1
Mid Mid (pH 6-8) 0.81 0.96 -40.89 3 3 0 64 174.203 1

Activity (Go SEA)

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