UCSF

ZINC11691344

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2008 37 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) 5.27 14.83 -21.21 0 9 0 104 522.989 7
Mid Mid (pH 6-8) 1.35 16.25 -28.57 1 9 1 103 523.997 8

Activity (Go SEA)

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