UCSF

ZINC03305979

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 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) 3.57 -3.27 -11.37 1 4 0 59 334.397 4
Hi High (pH 8-9.5) 3.57 -2.7 -43.3 0 4 -1 61 333.389 4

Activity (Go SEA)

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