UCSF

ZINC31975676

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 2.40 5.73 -53.97 3 4 1 54 254.313 3
Hi High (pH 8-9.5) 2.40 5.35 -14.98 2 4 0 53 253.305 3
Lo Low (pH 4.5-6) 2.40 6.19 -97.31 4 4 2 55 255.321 3

Activity (Go SEA)

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