UCSF

ZINC36876735

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 21 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) 2.30 6.95 -52.63 4 6 1 102 309.777 7
Mid Mid (pH 6-8) 2.30 7.41 -103.59 5 6 2 103 310.785 7

Activity (Go SEA)

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