UCSF

ZINC38805026

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2010 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.27 8.65 -21.87 1 5 0 56 367.493 3
Mid Mid (pH 6-8) 2.27 10.8 -52.01 2 5 1 58 368.501 3

Activity (Go SEA)

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