UCSF

ZINC36786857

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 19 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) 3.69 8.82 -121.99 4 2 2 32 264.457 6
Hi High (pH 8-9.5) 3.69 8.84 -27.38 3 2 1 30 263.449 6
Mid Mid (pH 6-8) 3.69 6.91 -43.09 3 2 1 31 263.449 6

Activity (Go SEA)

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