UCSF

ZINC07650414

Substance Information

In ZINC since Heavy atoms Benign functionality
June 9th, 2006 15 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) 1.16 3.2 -66.95 3 4 1 67 206.221 2
Mid Mid (pH 6-8) 1.16 2.8 -11.05 2 4 0 65 205.213 2

Activity (Go SEA)

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