UCSF

ZINC36876752

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 19 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) 1.77 5.62 -89.22 5 4 2 67 261.369 7
Mid Mid (pH 6-8) 1.77 5.2 -49.21 4 4 1 66 260.361 7

Activity (Go SEA)

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