UCSF

ZINC36876715

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 20 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) 1.63 4.99 -94.38 5 5 2 76 275.352 6
Mid Mid (pH 6-8) 1.63 4.56 -50.58 4 5 1 75 274.344 6

Activity (Go SEA)

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