UCSF

ZINC39745232

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 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) 2.72 8.11 -14.11 2 7 0 97 382.445 8
Mid Mid (pH 6-8) 2.72 7.91 -52.61 1 7 -1 95 381.437 8

Activity (Go SEA)

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