UCSF

ZINC36937610

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 17 Yes

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) 3.26 7.39 -26.42 3 3 1 45 230.335 3
Mid Mid (pH 6-8) 3.26 7.09 -6.2 2 3 0 44 229.327 3

Activity (Go SEA)

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