UCSF

ZINC49474464

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2010 16 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) 1.27 5.51 -83.21 4 3 2 33 229.412 8
Lo Low (pH 4.5-6) 1.27 6.84 -196.17 5 3 3 38 230.42 8

Activity (Go SEA)

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