UCSF

ZINC31980550

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 18 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) 2.57 6.27 -50.56 0 4 -1 62 242.254 4
Lo Low (pH 4.5-6) 2.57 6.71 -76.69 1 4 0 63 243.262 4

Activity (Go SEA)

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