UCSF

ZINC16732204

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 37 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) 3.57 10.61 -46.98 0 9 -1 118 521.571 9
Mid Mid (pH 6-8) 4.01 8.8 -25.87 1 9 0 115 522.579 8
Mid Mid (pH 6-8) 2.98 9.83 -17.59 0 9 0 112 522.579 9

Activity (Go SEA)

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