UCSF

ZINC34603552

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 33 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) 5.67 9.22 -43.34 1 7 -1 95 500.387 7
Mid Mid (pH 6-8) 5.67 9.65 -46.47 2 7 0 97 501.395 7

Activity (Go SEA)

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