UCSF

ZINC43969034

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 21 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) 3.18 8.01 -33.52 2 3 1 26 287.427 7
Mid Mid (pH 6-8) 3.18 8.95 -119.15 3 3 2 30 288.435 7

Activity (Go SEA)

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