UCSF

ZINC31562297

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 31 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) 4.18 9.14 -18.97 0 7 0 72 420.513 6
Mid Mid (pH 6-8) 4.18 11.36 -59.79 1 7 1 73 421.521 6

Activity (Go SEA)

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