UCSF

ZINC06051477

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2006 26 No

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) 2.46 6.97 -57.16 0 7 -1 91 371.442 5
Mid Mid (pH 6-8) 2.57 8.04 -15.21 1 7 0 88 372.45 4

Activity (Go SEA)

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