UCSF

ZINC14277617

Substance Information

In ZINC since Heavy atoms Benign functionality
July 6th, 2008 41 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) 3.33 10.52 -55.19 1 13 -1 162 561.575 11
Mid Mid (pH 6-8) 3.33 10.9 -59.67 2 13 0 163 562.583 11

Activity (Go SEA)

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