UCSF

ZINC36458942

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2009 12 Yes

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) -1.67 2.28 -88.09 5 4 1 84 175.252 6
Mid Mid (pH 6-8) -1.67 1.87 -32.03 4 4 0 83 174.244 6

Activity (Go SEA)

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