UCSF

ZINC31932960

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 19 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) 3.02 10.19 -43.28 1 3 1 22 252.341 3
Mid Mid (pH 6-8) 3.02 7.65 -10.21 0 3 0 21 251.333 3
Lo Low (pH 4.5-6) 3.02 10.61 -89.58 2 3 2 23 253.349 3

Activity (Go SEA)

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