UCSF

ZINC34950116

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 27 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) 1.19 5.95 -14.52 0 6 0 55 369.465 8
Mid Mid (pH 6-8) 1.19 8.21 -63.95 1 6 1 56 370.473 8
Lo Low (pH 4.5-6) 1.19 8.68 -107.45 2 6 2 57 371.481 8

Activity (Go SEA)

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