UCSF

ZINC31975486

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 4.21 9.39 -56.43 3 3 1 45 312.824 2
Hi High (pH 8-9.5) 4.21 9.06 -8.74 2 3 0 43 311.816 2
Lo Low (pH 4.5-6) 4.21 9.81 -107.11 4 3 2 46 313.832 2

Activity (Go SEA)

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