UCSF

ZINC19501981

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 31 No

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) 4.77 10.47 -11.45 1 6 0 76 420.509 6
Mid Mid (pH 6-8) 4.77 11.43 -56.08 2 6 1 80 421.517 6

Activity (Go SEA)

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