UCSF

ZINC37039143

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) -0.29 2.55 -113.86 4 6 2 73 294.465 8
Mid Mid (pH 6-8) -0.29 0.42 -50.49 3 6 1 71 293.457 8

Activity (Go SEA)

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