UCSF

ZINC36788686

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.15 7.37 -121.26 4 2 2 32 256.821 6
Mid Mid (pH 6-8) 3.15 5.12 -47.06 3 2 1 31 255.813 6
Mid Mid (pH 6-8) 3.15 6.98 -31.72 3 2 1 30 255.813 6

Activity (Go SEA)

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