UCSF

ZINC18126204

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 30 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) 3.64 9.76 -12.33 1 6 0 61 433.459 5
Mid Mid (pH 6-8) 3.64 10.08 -35.87 2 6 1 63 434.467 5

Activity (Go SEA)

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