UCSF

ZINC47867215

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2010 14 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) 1.79 3.92 -8.31 0 4 0 43 262.103 5
Mid Mid (pH 6-8) 1.79 6.17 -43.17 1 4 1 44 263.111 5

Activity (Go SEA)

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