UCSF

ZINC37823602

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) 0.32 4.49 -7.1 2 4 0 50 289.423 5
Mid Mid (pH 6-8) 0.32 4.83 -43.12 3 4 1 51 290.431 5
Mid Mid (pH 6-8) 0.32 6.7 -45.74 3 4 1 51 290.431 5
Mid Mid (pH 6-8) 0.32 7.05 -103.51 4 4 2 52 291.439 5

Activity (Go SEA)

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