UCSF

ZINC36749103

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 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) 3.12 6.97 -4.71 2 4 0 47 238.379 7
Mid Mid (pH 6-8) 3.12 7.09 -23.98 3 4 1 48 239.387 7

Activity (Go SEA)

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