UCSF

ZINC31933180

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 20 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) 2.35 8.98 -43.09 1 4 1 35 267.356 3
Mid Mid (pH 6-8) 2.35 6.44 -10.13 0 4 0 33 266.348 3
Lo Low (pH 4.5-6) 2.35 9.42 -92.04 2 4 2 36 268.364 3

Activity (Go SEA)

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