UCSF

ZINC35054369

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 17 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) 1.04 5.92 -34.12 2 3 1 29 232.351 4
Mid Mid (pH 6-8) 1.05 4.91 -43.55 2 3 1 33 232.351 4

Activity (Go SEA)

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