UCSF

ZINC28250567

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 32 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) 4.17 9.36 -15.74 3 9 0 114 499.369 5
Mid Mid (pH 6-8) 4.17 10.13 -51.21 2 9 -1 117 498.361 5

Activity (Go SEA)

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