UCSF

ZINC36634771

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 22 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) 1.98 7.65 -28.12 1 5 0 56 315.398 3
Lo Low (pH 4.5-6) 1.98 8.1 -40.43 2 5 1 57 316.406 3

Activity (Go SEA)

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