UCSF

ZINC60830255

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2011 18 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) 3.20 6.65 -47.56 3 2 1 37 242.342 5
Mid Mid (pH 6-8) 3.20 5.29 -4.75 2 2 0 32 241.334 5

Activity (Go SEA)

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