UCSF

ZINC36170521

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 1.65 3.81 -43.84 4 5 1 63 295.382 4
Hi High (pH 8-9.5) 1.65 1.6 -9.49 3 5 0 62 294.374 4
Mid Mid (pH 6-8) 1.65 3.83 -37.93 4 5 1 63 295.382 4

Activity (Go SEA)

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