UCSF

ZINC06748296

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 28 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) 3.74 4.35 -45.68 2 6 -1 98 396.423 4
Mid Mid (pH 6-8) 3.29 6.28 -12.62 3 6 0 95 397.431 4

Activity (Go SEA)

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