UCSF

ZINC09312136

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 36 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) 4.61 8.92 -59.55 0 8 -1 97 488.516 9
Mid Mid (pH 6-8) 5.05 9.26 -16.29 1 8 0 95 489.524 8

Activity (Go SEA)

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