UCSF

ZINC44674983

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2010 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) 3.81 11.74 -95.01 3 2 2 21 288.479 6
Hi High (pH 8-9.5) 3.81 10.8 -32.42 2 2 1 16 287.471 6

Activity (Go SEA)

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