UCSF

ZINC19293639

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 29 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) 2.60 10.11 -15.86 1 5 0 62 395.478 6
Lo Low (pH 4.5-6) 2.60 10.55 -40.73 2 5 1 64 396.486 6

Activity (Go SEA)

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