UCSF

ZINC36611749

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 30 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) 3.17 8.84 -49.84 3 6 1 67 479.439 13
Hi High (pH 8-9.5) 3.17 7.41 -12.22 2 6 0 63 478.431 13
Mid Mid (pH 6-8) 3.17 9.56 -44.17 3 6 1 64 479.439 13

Activity (Go SEA)

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