UCSF

ZINC36135312

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 16 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) -0.25 0.03 -43.99 5 5 1 86 230.332 6
Mid Mid (pH 6-8) -0.25 -0.28 -8.28 4 5 0 84 229.324 6

Activity (Go SEA)

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