UCSF

ZINC31555410

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 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) 3.04 4.25 -4.38 2 2 0 28 265.154 0
Mid Mid (pH 6-8) 3.04 5.62 -48.63 3 2 1 32 266.162 0

Activity (Go SEA)

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