UCSF

ZINC01025553

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2005 28 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) 3.40 10.14 -60.15 1 6 -1 87 398.508 6
Mid Mid (pH 6-8) 3.40 10.57 -65.79 2 6 0 88 399.516 6

Activity (Go SEA)

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