UCSF

ZINC52819118

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 25 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.03 10.27 -78.68 2 6 0 64 361.515 7
Mid Mid (pH 6-8) 2.31 10.17 -51.11 3 6 1 67 362.523 7

Activity (Go SEA)

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