UCSF

ZINC44126642

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 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) 2.44 7.65 -13.08 1 6 0 81 310.309 4
Mid Mid (pH 6-8) 2.90 5.85 -39.78 0 6 -1 84 309.301 4

Activity (Go SEA)

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