UCSF

ZINC21363115

Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 2008 23 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) 4.51 8.76 -20.52 1 5 0 64 341.383 8
Mid Mid (pH 6-8) 4.03 7.86 -49.26 0 5 -1 70 340.375 8

Activity (Go SEA)

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