UCSF

ZINC37052500

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) -1.64 3.13 -14.65 2 5 0 67 312.167 2
Mid Mid (pH 6-8) -1.64 3.43 -49.95 3 5 1 68 313.175 2

Activity (Go SEA)

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