UCSF

ZINC44686091

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 1.14 6.84 -41.5 2 5 1 50 309.459 6
Hi High (pH 8-9.5) 1.14 4.51 -15.29 1 5 0 48 308.451 6

Activity (Go SEA)

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