UCSF

ZINC31932969

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 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) 4.20 12.97 -44.64 1 3 1 22 306.433 3
Mid Mid (pH 6-8) 4.20 11.41 -10.6 0 3 0 21 305.425 3
Lo Low (pH 4.5-6) 4.20 13.39 -90.49 2 3 2 23 307.441 3

Activity (Go SEA)

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