UCSF

ZINC08637153

Substance Information

In ZINC since Heavy atoms Benign functionality
June 30th, 2007 25 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) 4.47 4.76 -9.51 3 6 0 91 421.067 4
Mid Mid (pH 6-8) 4.47 5.52 -41.38 2 6 -1 94 420.059 4

Activity (Go SEA)

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