UCSF

ZINC04381206

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 3.78 7.81 -8.08 1 3 0 38 312.385 7
Mid Mid (pH 6-8) 3.78 8.26 -32.78 2 3 1 39 313.393 7

Activity (Go SEA)

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