UCSF

ZINC39804824

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 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) -3.18 -0.52 -78.73 7 9 0 162 362.386 8
Hi High (pH 8-9.5) -3.18 -0.83 -58.73 6 9 -1 160 361.378 8

Activity (Go SEA)

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