UCSF

ZINC58245351

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2011 27 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) 1.90 7.74 -12.6 0 6 0 63 370.449 3
Mid Mid (pH 6-8) 1.90 9.87 -38.79 1 6 1 64 371.457 3

Activity (Go SEA)

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