UCSF

ZINC39952738

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.98 9.2 -52.5 0 6 -1 73 361.462 7
Mid Mid (pH 6-8) 3.98 11.33 -68.14 1 6 0 74 362.47 7

Activity (Go SEA)

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