UCSF

ZINC20104691

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 32 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) 3.58 8.75 -35.5 3 7 1 85 437.495 6
Hi High (pH 8-9.5) 3.58 7.28 -19.39 2 7 0 84 436.487 6
Mid Mid (pH 6-8) 3.76 6.21 -17.2 2 7 0 87 436.487 6

Activity (Go SEA)

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