UCSF

ZINC16161389

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2008 24 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) 6.84 10.54 -5.8 1 3 0 45 377.296 3
Hi High (pH 8-9.5) 7.30 8.83 -42.82 0 3 -1 48 376.288 3
Hi High (pH 8-9.5) 7.30 8.14 -43.58 0 3 -1 48 376.288 3
Mid Mid (pH 6-8) 6.35 10.1 -38.72 0 3 -1 44 376.288 4

Activity (Go SEA)

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