UCSF

ZINC36790850

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 15 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) 3.06 7.78 -102.13 3 2 2 21 214.397 6
Hi High (pH 8-9.5) 3.06 6.53 -32.24 2 2 1 16 213.389 6

Activity (Go SEA)

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