UCSF

ZINC27901702

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 28 No

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) 5.93 14.03 -36.6 1 2 1 16 370.516 8
Mid Mid (pH 6-8) 5.93 11.57 -5.69 0 2 0 12 369.508 8

Activity (Go SEA)

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