UCSF

ZINC19789379

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 21 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) 3.93 10.23 -32.09 1 2 1 8 350.324 3
Hi High (pH 8-9.5) 3.93 8.58 -2.06 0 2 0 6 349.316 3

Activity (Go SEA)

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