UCSF

ZINC37740696

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2009 19 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) 1.21 2.48 -60.85 2 5 1 69 306.791 5
Mid Mid (pH 6-8) 1.21 1.12 -15.6 1 5 0 65 305.783 5

Activity (Go SEA)

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