UCSF

ZINC35437047

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 26 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) -0.20 3.24 -11.87 1 8 0 88 361.446 9
Mid Mid (pH 6-8) -0.20 5.5 -42.87 2 8 1 89 362.454 9

Activity (Go SEA)

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