UCSF

ZINC34891692

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 36 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) 4.72 8.87 -103.97 1 10 -2 145 506.54 10
Mid Mid (pH 6-8) 4.72 9.41 -55.59 2 10 -1 143 507.548 10
Lo Low (pH 4.5-6) 4.72 7.44 -19.86 3 10 0 140 508.556 10

Activity (Go SEA)

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