UCSF

ZINC36868369

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) -0.38 0.58 -50.68 3 6 1 84 222.272 3
Hi High (pH 8-9.5) -0.38 0.18 -10.75 2 6 0 83 221.264 3

Activity (Go SEA)

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