UCSF

ZINC09463427

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 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) 3.67 7.18 -57.53 1 9 -1 121 515.523 5
Mid Mid (pH 6-8) 4.12 6.14 -27.81 2 9 0 118 516.531 4

Activity (Go SEA)

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