UCSF

ZINC20007396

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 21 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) 1.56 4.33 -46.07 4 5 1 63 307.443 5
Hi High (pH 8-9.5) 1.56 2.04 -28.25 3 5 0 62 306.435 5

Activity (Go SEA)

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