UCSF

ZINC36325202

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 20 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) 5.06 8.25 -3.86 1 2 0 21 419.182 6
Mid Mid (pH 6-8) 5.06 9.44 -43.47 2 2 1 26 420.19 6

Activity (Go SEA)

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