UCSF

ZINC08762295

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 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) 2.80 5.5 -15.26 1 5 0 64 317.292 5
Hi High (pH 8-9.5) 2.87 3.83 -45.22 0 5 -1 70 316.284 5

Activity (Go SEA)

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