UCSF

ZINC13301444

Substance Information

In ZINC since Heavy atoms Benign functionality
June 16th, 2008 26 No

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) 6.13 11 -9.25 1 4 0 48 385.92 5
Ref Reference (pH 7) 5.63 10.87 -42.73 0 4 -1 47 384.912 6
Hi High (pH 8-9.5) 6.58 9.21 -49.11 0 4 -1 52 384.912 5
Hi High (pH 8-9.5) 6.58 9.73 -46.41 0 4 -1 52 384.912 5
Mid Mid (pH 6-8) 6.13 11.11 -32.79 2 4 0 50 386.928 5
Mid Mid (pH 6-8) 6.13 11.39 -33.15 2 4 0 50 386.928 5
Mid Mid (pH 6-8) 5.63 11 -51.79 1 4 0 48 385.92 6

Activity (Go SEA)

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