UCSF

ZINC36386440

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 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) 2.91 9.52 -53.81 2 6 1 80 379.436 4
Mid Mid (pH 6-8) 2.91 8.3 -14.15 1 6 0 76 378.428 4

Activity (Go SEA)

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