UCSF

ZINC13686219

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 40 Yes

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) 8.61 19.14 -13.47 2 4 0 57 514.632 6
Mid Mid (pH 6-8) 8.61 19.52 -38.01 3 4 1 59 515.64 6
Mid Mid (pH 6-8) 8.61 19.94 -72.3 4 4 2 60 516.648 6

Activity (Go SEA)

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