UCSF

ZINC36192583

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 14 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) 0.63 3.87 -37.59 1 4 1 34 201.29 4
Hi High (pH 8-9.5) 0.63 4.3 -36.25 1 4 1 34 201.29 4
Mid Mid (pH 6-8) 0.63 1.67 -5.48 0 4 0 33 200.282 4
Lo Low (pH 4.5-6) 0.63 6.47 -98.25 2 4 2 35 202.298 4

Activity (Go SEA)

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