UCSF

ZINC00795773

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 19 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) 3.88 7.38 -15.62 1 4 0 55 275.377 5
Mid Mid (pH 6-8) 4.06 6.29 -49.25 0 4 -1 61 274.369 5

Activity (Go SEA)

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