UCSF

ZINC49083355

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 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) 1.81 2.34 -9.86 2 4 0 62 262.696 3
Hi High (pH 8-9.5) 1.81 3.11 -44.45 1 4 -1 65 261.688 3
Lo Low (pH 4.5-6) 1.81 2.8 -39.87 3 4 1 63 263.704 3

Activity (Go SEA)

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