UCSF

ZINC40175614

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 16 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) 1.23 7.77 -67.94 0 4 -1 62 281.085 1
Mid Mid (pH 6-8) 1.23 6.94 -28.64 1 4 0 65 282.093 1

Activity (Go SEA)

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