UCSF

ZINC36077681

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2009 20 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) 1.03 3.08 -43.43 3 6 1 79 301.436 5
Hi High (pH 8-9.5) 1.03 2.69 -29.83 2 6 0 81 300.428 5
Hi High (pH 8-9.5) 1.03 1.22 -8.72 2 6 0 78 300.428 5

Activity (Go SEA)

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