UCSF

ZINC13775539

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 30 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) 5.05 11.59 -67.84 3 6 1 76 426.61 9
Mid Mid (pH 6-8) 5.33 11.06 -120.7 3 6 2 76 427.618 9

Activity (Go SEA)

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