UCSF

ZINC00017965

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 21 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) 2.89 2.19 -9.9 0 6 0 61 292.383 4
Mid Mid (pH 6-8) -1.60 2.53 -46.65 1 6 1 63 293.391 4

Activity (Go SEA)

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