UCSF

ZINC35893037

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 36 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 6.84 15.19 -8.35 0 5 0 41 498.696 7
Mid Mid (pH 6-8) 6.84 17.45 -47.61 1 5 1 43 499.704 7

Activity (Go SEA)

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