UCSF

ZINC34950108

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 28 No

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) 1.12 7.37 -13.42 0 8 0 91 384.436 8
Mid Mid (pH 6-8) 1.12 9.63 -65.56 1 8 1 93 385.444 8
Lo Low (pH 4.5-6) 1.12 10.09 -113.78 2 8 2 94 386.452 8

Activity (Go SEA)

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