UCSF

ZINC48581813

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 17 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) -0.88 -0.07 -15.89 2 5 0 67 253.327 3
Mid Mid (pH 6-8) -0.88 2.09 -49.36 3 5 1 68 254.335 3

Activity (Go SEA)

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