UCSF

ZINC39981887

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 26 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) 1.41 5.19 -45.13 2 7 1 66 361.466 7
Hi High (pH 8-9.5) 1.41 2.91 -13.29 1 7 0 65 360.458 7
Mid Mid (pH 6-8) 1.41 5.19 -48.53 2 7 1 66 361.466 7

Activity (Go SEA)

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