UCSF

ZINC36305370

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 12 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 -0.05 -40.59 3 3 1 40 171.264 2
Hi High (pH 8-9.5) -0.32 -0.35 -2.04 2 3 0 38 170.256 2
Mid Mid (pH 6-8) -0.32 2.09 -114.63 4 3 2 41 172.272 2

Activity (Go SEA)

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