UCSF

ZINC36793991

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 16 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) 1.52 5.84 -43.84 2 3 1 37 286.193 4
Hi High (pH 8-9.5) 1.52 4.65 -10.23 1 3 0 32 285.185 4

Activity (Go SEA)

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