UCSF

ZINC39917798

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 35 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 6.13 17.72 -47.06 1 5 1 41 476.685 13
Mid Mid (pH 6-8) 6.13 18.03 -100.33 2 5 2 42 477.693 13

Activity (Go SEA)

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